Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cimicifugic acid A
RN: 205114-65-4
UNII: 0S0MJU107Z
InChIKey: LIJMMUDJSMCVDJ-ZHBFVYIWSA-N

Note

  • Occurring in black cohosh (Cimicifuga racemosa (L.) Nutt., Actaea racemosa (Ranunculaceae))

Molecular Formula

  • C21-H20-O11

Molecular Weight

  • 448.378
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Cimicifugic acid A

Name of Substance

  • Cimicifugic acid A

Synonyms

  • Cimicifugic acid A
  • UNII-0S0MJU107Z

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 205114-65-4

FDA UNII

  • 0S0MJU107Z

System Generated Number

  • 0205114654

Structure Descriptors

InChI

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

InChIKey

LIJMMUDJSMCVDJ-ZHBFVYIWSA-N

Smiles

COc1cc(ccc1O)/C=C/C(=O)O[C@H](C(=O)O)[C@](Cc2ccc(c(c2)O)O)(C(=O)O)O