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Substance Name: Cimiracemoside B
RN: 290821-38-4
UNII: C14I8V7U36
InChIKey: BLSOWYXADNOUMK-VEVWYUDJSA-N

Note

  • From the rhizome of Cimicifuga racemosa.

Molecular Formula

  • C35-H56-O10

Molecular Weight

  • 636.8174
 
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Names and Synonyms

Name of Substance

  • Cimiracemoside B

Synonyms

  • 21-Hydroxycimigenol 3-o-beta-D-xylopyranoside
  • beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-15,21,25-trihydroxy-9,19-cyclolanostan-3-yl
  • Cimiracemoside B
  • Cimiracemoside B (C35)
  • Cimiracemoside B, (+)-
  • UNII-C14I8V7U36

Registry Numbers

CAS Registry Number

  • 290821-38-4

FDA UNII

  • C14I8V7U36

System Generated Number

  • 0290821384

Structure Descriptors

InChI

InChI=1S/C35H56O10/c1-29(2)20-7-8-21-32(6)28(40)35-25(17(14-36)13-19(44-35)26(45-35)30(3,4)41)31(32,5)11-12-34(21)16-33(20,34)10-9-22(29)43-27-24(39)23(38)18(37)15-42-27/h17-28,36-41H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,22-,23-,24+,25+,26-,27-,28+,31+,32+,33+,34-,35-/m0/s1

InChIKey

BLSOWYXADNOUMK-VEVWYUDJSA-N

Smiles

CC(C)(O)[C@H]1O[C@@]23O[C@@H]1C[C@@H](CO)[C@@H]2[C@@]4(C)CC[C@@]56C[C@@]57CC[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)[C@H]3O