Diterpenoids

A large, structurally diverse class of natural products derived from four C5 isoprene units joined in a head-tail format; the basis of biologically important compounds such as retinol, retinal, and phytol; antimicrobial and anti-inflammatory.

1 – 13 of 13 results

Thermo Scientific Chemicals Paclitaxel, 99+%

CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	133640187
CAS	33069-62-4
Molecular Weight (g/mol)	853.92
MDL Number	MFCD00869953
SMILES	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
IUPAC Name	(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key	RCINICONZNJXQF-VAZQATRQSA-N
Molecular Formula	C47H51NO14

2,6,10,14-Tetramethylpentadecane, 95%, Thermo Scientific Chemicals

CAS: 1921-70-6 Molecular Formula: C₁₉H₄₀ Molecular Weight (g/mol): 268.51 InChI Key: XOJVVFBFDXDTEG-UHFFFAOYSA-N Synonym: pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy PubChem CID: 15979 ChEBI: CHEBI:53181 IUPAC Name: 2,6,10,14-tetramethylpentadecane SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C

Pricing and Availability
Specifications

PubChem CID	15979
CAS	1921-70-6
Molecular Weight (g/mol)	268.51
ChEBI	CHEBI:53181
SMILES	CC(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym	pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy
IUPAC Name	2,6,10,14-tetramethylpentadecane
InChI Key	XOJVVFBFDXDTEG-UHFFFAOYSA-N
Molecular Formula	C₁₉H₄₀

Farnesylacetone, mixture of isomers, 97%, Thermo Scientific Chemicals

CAS: 762-29-8 Molecular Formula: C18H30O Molecular Weight (g/mol): 262.437 MDL Number: MFCD00036517 InChI Key: LTUMRKDLVGQMJU-IUBLYSDUSA-N Synonym: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 IUPAC Name: (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

Pricing and Availability
Specifications

PubChem CID	1711945
CAS	762-29-8
Molecular Weight (g/mol)	262.437
ChEBI	CHEBI:67252
MDL Number	MFCD00036517
SMILES	CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
Synonym	farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl
IUPAC Name	(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
InChI Key	LTUMRKDLVGQMJU-IUBLYSDUSA-N
Molecular Formula	C18H30O

Isophytol, 95%, Thermo Scientific Chemicals

CAS: 505-32-8 Molecular Formula: C20H40O Molecular Weight (g/mol): 296.539 MDL Number: MFCD00048380 InChI Key: KEVYVLWNCKMXJX-UHFFFAOYSA-N Synonym: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 IUPAC Name: 3,7,11,15-tetramethylhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

Pricing and Availability
Specifications

PubChem CID	10453
CAS	505-32-8
Molecular Weight (g/mol)	296.539
MDL Number	MFCD00048380
SMILES	CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Synonym	isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474
IUPAC Name	3,7,11,15-tetramethylhexadec-1-en-3-ol
InChI Key	KEVYVLWNCKMXJX-UHFFFAOYSA-N
Molecular Formula	C20H40O

Thermo Scientific Chemicals Docetaxel, 98%

CAS: 114977-28-5 Molecular Formula: C₄₃H₅₃NO₁₄ Molecular Weight (g/mol): 807.88 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

Pricing and Availability
Specifications

PubChem CID	148124
CAS	114977-28-5
Molecular Weight (g/mol)	807.88
ChEBI	CHEBI:4672
SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Synonym	docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
InChI Key	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Formula	C₄₃H₅₃NO₁₄

Geranyl linalool, ca. 95%, Tech., mixture of isomers, Thermo Scientific Chemicals

CAS: 1113-21-9 Molecular Formula: C20H34O Molecular Weight (g/mol): 290.49 MDL Number: MFCD00059363 InChI Key: IQDXAJNQKSIPGB-HQSZAHFGNA-N Synonym: geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl PubChem CID: 5365872 ChEBI: CHEBI:74299 IUPAC Name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C

Pricing and Availability
Specifications

PubChem CID	5365872
CAS	1113-21-9
Molecular Weight (g/mol)	290.49
ChEBI	CHEBI:74299
MDL Number	MFCD00059363
SMILES	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
Synonym	geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl
IUPAC Name	(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
InChI Key	IQDXAJNQKSIPGB-HQSZAHFGNA-N
Molecular Formula	C20H34O

Crocetin, free acid, >90%, MP Biomedicals™

CAS: 27876-94-4 Molecular Formula: C20H24O4 Molecular Weight (g/mol): 328.408 InChI Key: PANKHBYNKQNAHN-MQQNZMFNSA-N Synonym: crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin PubChem CID: 5281232 ChEBI: CHEBI:3918 IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O

Pricing and Availability
Specifications

PubChem CID	5281232
CAS	27876-94-4
Molecular Weight (g/mol)	328.408
ChEBI	CHEBI:3918
SMILES	CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Synonym	crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin
IUPAC Name	(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
InChI Key	PANKHBYNKQNAHN-MQQNZMFNSA-N
Molecular Formula	C20H24O4

PubChem CID	133640187
CAS	33069-62-4
Molecular Weight (g/mol)	853.92
MDL Number	MFCD00869953
SMILES	CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
IUPAC Name	(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key	RCINICONZNJXQF-VAZQATRQSA-N
Molecular Formula	C47H51NO14

Docetaxel, Tocris Bioscience™

CAS: 114977-28-5 Molecular Formula: C43H53NO14 Molecular Weight (g/mol): 807.89 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

Pricing and Availability
Specifications

PubChem CID	148124
CAS	114977-28-5
Molecular Weight (g/mol)	807.89
ChEBI	CHEBI:4672
SMILES	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Synonym	docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
InChI Key	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Formula	C43H53NO14

Alfa Aesar™ Resiniferatoxin, 99+%, Thermo Scientific™

CAS: 57444-62-9 Molecular Formula: C37H40O9 Molecular Weight (g/mol): 628.72 MDL Number: MFCD00135927,MFCD00135927 InChI Key: OYWHJFQVSOUQSF-PKRQWDGKSA-N Synonym: resiniferatoxin PubChem CID: 57090162 IUPAC Name: [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0¹,¹⁰.0²,⁶.0¹¹,¹⁵]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-methoxyphenyl)acetate SMILES: COC1=CC(O)=CC=C1CC(=O)OCC1=C[C@H]2[C@H]3OC4(CC5=CC=CC=C5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C

Pricing and Availability
Specifications

PubChem CID	57090162
CAS	57444-62-9
Molecular Weight (g/mol)	628.72
MDL Number	MFCD00135927,MFCD00135927
SMILES	COC1=CC(O)=CC=C1CC(=O)OCC1=C[C@H]2[C@H]3OC4(CC5=CC=CC=C5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C
Synonym	resiniferatoxin
IUPAC Name	[(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0¹,¹⁰.0²,⁶.0¹¹,¹⁵]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-2-methoxyphenyl)acetate
InChI Key	OYWHJFQVSOUQSF-PKRQWDGKSA-N
Molecular Formula	C37H40O9

Aphidicolin, >99%, MP Biomedicals™

CAS: 38966-21-1 Molecular Formula: C20H34O4 InChI Key: NOFOAYPPHIUXJR-APNQCZIXSA-N PubChem CID: 457964 ChEBI: CHEBI:2766 SMILES: CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O

Pricing and Availability
Specifications

PubChem CID	457964
CAS	38966-21-1
ChEBI	CHEBI:2766
SMILES	CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O
InChI Key	NOFOAYPPHIUXJR-APNQCZIXSA-N
Molecular Formula	C20H34O4

Diterpenoids

Diterpenoids

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