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Substance Name: Cimicifugoside H-2
RN: 161097-77-4
UNII: CS0JEH28E6
InChIKey: SUNYLGIAMKNXMN-GLWILYKISA-N

Molecular Formula

  • C35-H54-O10

Molecular Weight

  • 634.8016
 
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Names and Synonyms

Name of Substance

  • Cimicifugoside H-2

Synonyms

  • 9,19-Cyclolanost-7-ene-16,23-dione, 11,24,25-trihydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,11beta,24R)-
  • Cimicifugoside H 2
  • Cimicifugoside H-2
  • Cimicifugoside H-2, (-)-
  • UNII-CS0JEH28E6

Registry Numbers

CAS Registry Number

  • 161097-77-4

FDA UNII

  • CS0JEH28E6

System Generated Number

  • 0161097774

Structure Descriptors

InChI

InChI=1S/C35H54O10/c1-17(12-18(36)28(42)31(4,5)43)25-19(37)13-32(6)22-9-8-21-30(2,3)24(45-29-27(41)26(40)20(38)15-44-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-43H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1

InChIKey

SUNYLGIAMKNXMN-GLWILYKISA-N

Smiles

C[C@H](CC(=O)[C@H](O)C(C)(C)O)[C@H]1C(=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@@]45C[C@@]35[C@@H](O)C[C@]12C)O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O