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Substance Name: Cimicifugic acid B
RN: 205114-66-5
UNII: RMQ0SKL6CI
InChIKey: YVHLLZXSGPDXOA-ZHBFVYIWSA-N

Molecular Formula

  • C21-H20-O11

Molecular Weight

  • 448.378
 
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Names and Synonyms

Results Name

  • Cimicifugic acid B

Name of Substance

  • Cimicifugic acid B

Synonyms

  • Cimicifugic acid B
  • UNII-RMQ0SKL6CI

Systematic Names

  • Butanedioic acid, 2-9(3,4-dihydroxyphenyl)methyl)-2-hydroxy-3-(((2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (2R,3S)-
  • Butanedioic acid, 2-9(3,4-dihydroxyphenyl)methyl)-2-hydroxy-3-((3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, (S-(R*,S*(E)))-

Registry Numbers

CAS Registry Number

  • 205114-66-5

FDA UNII

  • RMQ0SKL6CI

System Generated Number

  • 0205114665

Structure Descriptors

InChI

InChI=1S/C21H20O11/c1-31-16-6-3-11(8-15(16)24)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-2-5-13(22)14(23)9-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1

InChIKey

YVHLLZXSGPDXOA-ZHBFVYIWSA-N

Smiles

COc1ccc(\C=C\C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1O