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Substance Name: Cimiracemoside A
RN: 264875-61-8
UNII: 7N2E1K5A7H
InChIKey: IHMRHYCBRKQAFU-CCPRSJHGSA-N

Molecular Formula

  • C37-H56-O11

Molecular Weight

  • 676.8384
 
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Names and Synonyms

Name of Substance

  • Cimiracemoside A

Synonyms

  • beta-D-Xylopyranoside, (3beta,12beta,16beta,22R,23R,24R)-12-(acetyloxy)-16,23:22,25-diepoxy-23,24-dihydroxy-9,19-cyclolanost-7-en-3-yl
  • Cimiracemoside A
  • Cimiracemoside A (constituent of Black cohosh) [DSC]
  • Cimiracemoside F
  • UNII-7N2E1K5A7H

Registry Numbers

CAS Registry Number

  • 264875-61-8

FDA UNII

  • 7N2E1K5A7H

System Generated Number

  • 0264875618

Structure Descriptors

InChI

InChI=1S/C37H56O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1

InChIKey

IHMRHYCBRKQAFU-CCPRSJHGSA-N

Smiles

C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@@]2(O)O[C@H]3C[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57C[C@@H](OC(=O)C)[C@]4(C)[C@@H]13)O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O