(Q27291390)

Hederagenin diacetate (English)

14 October 2016

chemical formula

C₃₄H₅₂O₆

1 reference

Hederagenin diacetate (English)

14 October 2016

canonical SMILES

CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C

1 reference

Hederagenin diacetate (English)

14 October 2016

isomeric SMILES

CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)C)C)CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C

1 reference

Isolation and relay synthesis of 11α-hydroperoxy diacetyl hederagenin, a novel triterpenoid derivative from Serjania triquetra (Sapindaceae). Biogenetic implications.

Hederagenin diacetate (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C34H52O6/c1-21(35)39-20-31(6)25-11-14-33(8)26(30(25,5)13-12-27(31)40-22(2)36)10-9-23-24-19-29(3,4)15-17-34(24,28(37)38)18-16-32(23,33)7/h9,24-27H,10-20H2,1-8H3,(H,37,38)/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1

1 reference

Hederagenin diacetate (English)

ALRXJQODPMIUEI-WZMLTRNISA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Hederagenin diacetate (English)

14 October 2016

1 reference

UNII

V10FP6N5VT

hederagenin diacetate (English)

14 October 2016

1 reference

(3beta)-3,23-Diacetoxyolean-12-en-28-oic acid (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

Hederagenin diacetate (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

V10FP6N5VT

hederagenin diacetate (English)