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Substance Name: 12,13-Deoxytrichoverrin
RN: 123025-01-4
UNII: 9838880GAY
InChIKey: DQMXCXZEZVSOMG-CRBVBYKRSA-N

Molecular Formula

  • C29-H40-O8

Molecular Weight

  • 516.627
 
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Names and Synonyms

Name of Substance

  • 12,13-Deoxytrichoverrin

Synonym

  • UNII-9838880GAY

Systematic Name

  • Trichotheca-9,12-diene-4,15-diol, 4-(6,7-dihydroxy-2,4-octadienoate) 15-(5-hydroxy-3-methyl-2-pentenoate), (4beta(2E,4E,6S,7S),15(E))-

Registry Numbers

CAS Registry Number

  • 123025-01-4

FDA UNII

  • 9838880GAY

System Generated Number

  • 0123025014

Structure Descriptors

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

InChIKey

DQMXCXZEZVSOMG-CRBVBYKRSA-N

Smiles

CC1=C[C@@H]2[C@](CC1)([C@@]3([C@@H](C[C@@H](C3=C)O2)OC(=O)/C=C\C=C\[C@@H]([C@H](C)O)O)C)COC(=O)/C=C(\C)/CCO