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Substance Name: Salaspermic acid
RN: 71247-78-4
InChIKey: ZXENWDWQTWYUGY-BQVNMAQLSA-N

Note

  • From Tripterygium wilfordii; inhibitor of HIV reverse transcriptase & HIV replication in H9 lymphocyte cells.

Molecular Formula

  • C30-H48-O4

Molecular Weight

  • 472.705
 
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Names and Synonyms

Name of Substance

  • Salaspermic acid

Synonyms

  • (3beta,20alpha)-3,24-Epoxy-3-hydroxy-D:A-friedooleanan-29-oic acid
  • Salaspermic acid

Systematic Name

  • D:A-Friedooleanan-29-oic acid, 3,24-epoxy-3-hydroxy-, (3beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 71247-78-4

System Generated Number

  • 0071247784

Structure Descriptors

InChI

1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20?,21?,22?,24-,25-,26-,27-,28+,29?,30+/m1/s1

InChIKey

ZXENWDWQTWYUGY-BQVNMAQLSA-N

Smiles

C1[C@@](C(=O)O)(C)CC[C@@]2(CC[C@@]3([C@@]([C@@H]12)(CC[C@@]1([C@@H]3CC[C@@]23[C@H]([C@](O)(CC[C@@H]13)OC2)C)C)C)C)C