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Substance Name: Helicterilic acid
RN: 102637-05-8
InChIKey: SWHPMVMCXJNDBZ-JZYPULJSSA-N

Note

  • Isolated from roots of Helicteres angustifolia L.

Molecular Formula

  • C39-H54-O6

Molecular Weight

  • 618.85
 
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Names and Synonyms

Name of Substance

  • Helicterilic acid

Systematic Name

  • Olean-12-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 102637-05-8

System Generated Number

  • 0102637058

Structure Descriptors

InChI

1S/C39H54O6/c1-25(40)45-31-16-17-36(6)29(35(31,4)5)15-18-37(7)30(36)14-13-27-28-23-34(2,3)19-20-38(28,33(42)43)21-22-39(27,37)24-44-32(41)26-11-9-8-10-12-26/h8-13,28-31H,14-24H2,1-7H3,(H,42,43)/t28-,29-,30+,31-,36-,37+,38-,39-/m0/s1

InChIKey

SWHPMVMCXJNDBZ-JZYPULJSSA-N

Smiles

C1[C@@H](C(C)(C)[C@H]2[C@@](C)([C@H]3CC=C4[C@@]([C@]3(C)CC2)(COC(c2ccccc2)=O)CC[C@@]2(C(=O)O)[C@H]4CC(CC2)(C)C)C1)OC(=O)C