12,13-DEOXYTRICHOVERRIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40O8
Molecular Weight	516.6231
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)[C@@H](O)\C=C\C=C/C(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)CC[C@]3(COC(=O)\C=C(/C)CCO)[C@@]1(C)C2=C

InChI

InChIKey=DQMXCXZEZVSOMG-CRBVBYKRSA-N

InChI=1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22-,23-,24+,25+,28-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,4R,5R,5AR,9AR)-5A-((((E)-5-HYDROXY-3-METHYLPENT-2-ENOYL)OXY)METHYL)-5,8-DIMETHYL-10-METHYLENE-2,3,4,5,5A,6,7,9A-OCTAHYDRO-2,5-METHANOBENZO(B)OXEPIN-4-YL (2Z,4E,6S,7S)-6,7-DIHYDROXYOCTA-2,4-DIENOATE

Preferred Name

English

12,13-DEOXYTRICHOVERRIN A

Common Name

English

TRICHOTHECA-9,12-DIENE-4,15-DIOL, 4-(6,7-DIHYDROXY-2,4-OCTADIENOATE) 15-(5-HYDROXY-3-METHYL-2-PENTENOATE), (4.BETA.(2E,4E,6S,7S),15(E))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

6449936

Created by admin on Mon Mar 31 22:18:29 GMT 2025 , Edited by admin on Mon Mar 31 22:18:29 GMT 2025

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CAS

123025-01-4

Created by admin on Mon Mar 31 22:18:29 GMT 2025 , Edited by admin on Mon Mar 31 22:18:29 GMT 2025

PRIMARY

FDA UNII

9838880GAY

Created by admin on Mon Mar 31 22:18:29 GMT 2025 , Edited by admin on Mon Mar 31 22:18:29 GMT 2025

PRIMARY

SUBSTANCE RECORD


					9838880GAY

12,13-DEOXYTRICHOVERRIN A