13-O-Acetyl-12-O-deca-2,4,6-trienoylphorbol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H42O8
Molecular Weight	554.6711
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 13-O-Acetyl-12-O-deca-2,4,6-trienoylphorbol

Structure Search

SMILES

CCC\C=C\C=C\C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(C)=O

InChI

InChIKey=UUDRJPRIBMGADE-YNOQIDMFSA-N

InChI=1S/C32H42O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h9-16,20,23-24,26,28,33,37-38H,7-8,17-18H2,1-6H3/b10-9+,12-11+,14-13+/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H42O8
Molecular Weight	554.6711
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:27:51 GMT 2025` Edited by `admin` on `Wed Apr 02 11:27:51 GMT 2025`
Record UNII	F2Y2AD9QJM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

13-O-Acetyl-12-O-deca-2,4,6-trienoylphorbol

Common Name

English

NSC-336793

Preferred Name

English

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

Common Name

English

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

Common Name

English

(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0{2,6}.0{11,13}]pentadeca-3,8-dien-14-yl (2E,4E,6E)-deca-2,4,6-trienoate

Systematic Name

English

Code System Code Type Description

NSC

336793