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Substance Name: Cimiside B
RN: 152685-91-1
InChIKey: FQXVWSGUAKXSLO-WQYAHHOZSA-N

Note

  • Isolated from rhizome of Cimicifuga dahurica.

Molecular Formula

  • C40-H64-O13

Molecular Weight

  • 752.933
 
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Names and Synonyms

Name of Substance

  • Cimiside B

Synonyms

  • Cimigenol-3-O-xylopyranosyl-3-xylpyranoside
  • Cimiside B

Systematic Name

  • beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl 3-O-beta-D-xylopyranosyl-

Registry Numbers

CAS Registry Number

  • 152685-91-1

System Generated Number

  • 0152685911

Structure Descriptors

InChI

1S/C40H64O13/c1-18-14-21-30(35(4,5)47)53-40(52-21)29(18)36(6)12-13-39-17-38(39)11-10-24(34(2,3)22(38)8-9-23(39)37(36,7)33(40)46)50-32-27(45)28(20(42)16-49-32)51-31-26(44)25(43)19(41)15-48-31/h18-33,41-47H,8-17H2,1-7H3/t18-,19-,20-,21?,22?,23?,24?,25+,26-,27-,28+,29-,30?,31+,32+,33-,36-,37-,38?,39?,40?/m1/s1

InChIKey

FQXVWSGUAKXSLO-WQYAHHOZSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@H](O)CO1)[C@@H]1CC[C@@]23[C@@]4(CC[C@@]5([C@H]6[C@@H](C[C@@H]7[C@@H](C(C)(C)O)O[C@@]6([C@@H]([C@@]5([C@@H]4CC[C@@H]2C1(C)C)C)O)O7)C)C)C3