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Substance Name: Hycandinic acid ester-2
RN: 214353-01-2
InChIKey: CFSGXVCRNZCANZ-UVCFQIBXSA-N

Note

  • From root of Hydrastis canadensis.

Molecular Formula

  • C21-H28-O9

Molecular Weight

  • 424.443
 
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Names and Synonyms

Results Name

  • Hycandinic acid ester-2

Synonyms

  • 4-O-Feruloylquinic acid butyl ester
  • Hycandinic acid ester-2

Systematic Name

  • Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-, butyl ester, (1alpha,3R,4alpha,5R)-

Registry Numbers

CAS Registry Number

  • 214353-01-2

System Generated Number

  • 0214353012

Structure Descriptors

InChI

1S/C21H28O9/c1-3-4-9-29-20(26)21(27)11-15(23)19(16(24)12-21)30-18(25)8-6-13-5-7-14(22)17(10-13)28-2/h5-8,10,15-16,19,22-24,27H,3-4,9,11-12H2,1-2H3/b8-6+/t15-,16-,19-,21+/m1/s1

InChIKey

CFSGXVCRNZCANZ-UVCFQIBXSA-N

Smiles

C1[C@@](C[C@H]([C@H]([C@@H]1O)OC(\C=C\c1cc(c(cc1)O)OC)=O)O)(C(=O)OCCCC)O