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Substance Name: 25-O-Acetylcimigenol xyloside
RN: 27994-12-3
UNII: 915XS7T0OS
InChIKey: NNFJPOSVDKIWPO-GEOUWNACSA-N

Note

  • From Cimicifuga dahurica.

Molecular Formula

  • C37-H58-O10

Molecular Weight

  • 662.8552
 
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Names and Synonyms

Name of Substance

  • 25-O-Acetylcimigenol xyloside

Synonyms

  • 25-O-Acetylcimigenol xyloside
  • 25-O-Acetylcimigenol-3-o-beta-D-xylopyranoside
  • 25-O-Acetylcimigenol-3-o-beta-D-xyloside (24S) (constituent of Black cohosh) [DSC]
  • beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-25-(acetyloxy)-16,23:16,24-diepoxy-15-hydroxy-9,19-cyclolanostan-3-yl
  • Cimigenoside, 25-acetate
  • UNII-915XS7T0OS

Registry Numbers

CAS Registry Number

  • 27994-12-3

FDA UNII

  • 915XS7T0OS

System Generated Number

  • 0027994123

Structure Descriptors

InChI

1S/C37H58O10/c1-18-15-21-28(32(5,6)45-19(2)38)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(44-29-26(41)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1

InChIKey

NNFJPOSVDKIWPO-GEOUWNACSA-N

Smiles

C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)OC(=O)C