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Substance Name: Triptotriterpenic acid A
RN: 100897-87-8
InChIKey: JTBGJQZJEYVBJZ-NRTDWLMYSA-N

Note

  • From Tripterygium wilfordii.

Molecular Formula

  • C30-H48-O4

Molecular Weight

  • 472.705
 
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Names and Synonyms

Name of Substance

  • Triptotriterpenic acid A

Synonym

  • 3,22-Dihydroxyolean-12-en-29-oic acid

Systematic Name

  • Olean-12-en-29-oic acid, 3,22-dihydroxy-, (3beta,22alpha)-

Registry Numbers

CAS Registry Number

  • 100897-87-8

System Generated Number

  • 0100897878

Structure Descriptors

InChI

1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26?,27+,28-,29+,30+/m0/s1

InChIKey

JTBGJQZJEYVBJZ-NRTDWLMYSA-N

Smiles

C1[C@H](O)C([C@@H]2CC[C@@]3([C@@H](CC=C4[C@@]3(CC[C@@]3([C@H]4C[C@@](C[C@@H]3O)(C)C(=O)O)C)C)[C@@]2(C1)C)C)(C)C