12-DEOXY-PHORBOL-13-HEPTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O6
Molecular Weight	460.6029
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 12-DEOXY-PHORBOL-13-HEPTANOATE

Structure Search

SMILES

CCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C

InChI

InChIKey=UPPSIRPNAMLYSO-IWPXVRCISA-N

InChI=1S/C27H40O6/c1-6-7-8-9-10-21(29)33-26-13-17(3)27(32)19(22(26)24(26,4)5)12-18(15-28)14-25(31)20(27)11-16(2)23(25)30/h11-12,17,19-20,22,28,31-32H,6-10,13-15H2,1-5H3/t17-,19+,20-,22-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O6
Molecular Weight	460.6029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:19:45 GMT 2025` Edited by `admin` on `Mon Mar 31 22:19:45 GMT 2025`
Record UNII	GJ5TLU96TK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Heptanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-(1a?,1b?,4a?,7a?,7b?,8?,9a?)]-

Preferred Name

English

12-DEOXY-PHORBOL-13-HEPTANOATE

Common Name

English

[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] heptanoate

Systematic Name

English

Code System Code Type Description

FDA UNII

GJ5TLU96TK

Created by admin on Mon Mar 31 22:19:45 GMT 2025 , Edited by admin on Mon Mar 31 22:19:45 GMT 2025

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PUBCHEM

3044028

Created by admin on Mon Mar 31 22:19:45 GMT 2025 , Edited by admin on Mon Mar 31 22:19:45 GMT 2025

PRIMARY

CAS

56577-03-8

Created by admin on Mon Mar 31 22:19:45 GMT 2025 , Edited by admin on Mon Mar 31 22:19:45 GMT 2025

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EPA CompTox

DTXSID80972019

Created by admin on Mon Mar 31 22:19:45 GMT 2025 , Edited by admin on Mon Mar 31 22:19:45 GMT 2025

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