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Substance Name: Neocimicigenoside B
RN: 876726-04-4
UNII: 9VI6RV891W
InChIKey: TWFVBWUFOFPXEY-GEOUWNACSA-N

Note

  • Cycloartane glycoside from the rhizomes of Cimicifuga racemosa.

Molecular Formula

  • C37-H58-O10

Molecular Weight

  • 662.8552
 
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Names and Synonyms

Name of Substance

  • Neocimicigenoside B

Synonyms

  • beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-24-(acetyloxy)-16,23:16,25-diepoxy-15-hydroxy-9,19-cyclolanostan-3-yl
  • Neocimicigenoside B
  • UNII-9VI6RV891W

Registry Numbers

CAS Registry Number

  • 876726-04-4

FDA UNII

  • 9VI6RV891W

System Generated Number

  • 0876726044

Structure Descriptors

InChI

InChI=1S/C37H58O10/c1-18-15-21-28(44-19(2)38)32(5,6)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(45-29-26(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

TWFVBWUFOFPXEY-GEOUWNACSA-N

Smiles

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