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

[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)\C=C\C=C\C=C\CCC)[C@@]1(OC(C)=O)C2(C)C

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

Approval Year

Name

Type

Language

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

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-[1aα,1bβ,4aβ,7aα,7bα,8α,9β(2E,4E,6E),9aα]]-

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-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-

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

NSC-336793

Code

English

Code System Code Type Description

NSC

336793