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Substance Name: Cimiside A
RN: 152685-90-0
InChIKey: JKPGINPCCVKTKQ-NCOMMUCESA-N

Note

  • Isolated from rhizome of Cimicifuga dahurica.

Molecular Formula

  • C35-H56-O10

Molecular Weight

  • 636.8174
 
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Names and Synonyms

Name of Substance

  • Cimiside A

Synonyms

  • 12-Hydroxycimigenol-3-O-xylopyranoside
  • 12beta-Hydroxycimigenol 3-(beta-D-xylopyranoside)

Systematic Name

  • beta-D-Xylopyranoside, (3beta,12beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl

Mixture Name

  • 12beta-Hydroxycimigenol-3-O-beta-D-xylopyranoside

Registry Numbers

CAS Registry Number

  • 152685-90-0

System Generated Number

  • 0152685900

Structure Descriptors

InChI

1S/C35H56O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h16-28,36-41H,8-15H2,1-7H3/t16-,17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1

InChIKey

JKPGINPCCVKTKQ-NCOMMUCESA-N

Smiles

C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57C[C@@H](O)[C@]4(C)[C@@H]13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O