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Substance Name: 25-O-Methylcimigenol-3-o-beta-D-xyloside
RN: 27994-13-4
UNII: W8WIS748XQ
InChIKey: LAOCOVISLMUJNC-OBWXLDMWSA-N

Molecular Formula

  • C36-H58-O9

Molecular Weight

  • 634.8452
 
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Names and Synonyms

Name of Substance

  • 25-O-Methylcimigenol-3-o-beta-D-xyloside

Synonyms

  • 25-O-Methylcimigenol-3-o-beta-D-xyloside
  • 25-O-Methylcimigenol-3-o-beta-D-xyloside (24S) (constituent of Black cohosh) [DSC]
  • beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-15-hydroxy-25-methoxy-9,19-cyclolanostan-3-yl
  • UNII-W8WIS748XQ

Registry Numbers

CAS Registry Number

  • 27994-13-4

FDA UNII

  • W8WIS748XQ

System Generated Number

  • 0027994134

Structure Descriptors

InChI

1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1

InChIKey

LAOCOVISLMUJNC-OBWXLDMWSA-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