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Substance Name: Cimicifugoside H-3
RN: 163046-74-0
UNII: 561Z0P7AEV
InChIKey: QMZIBXOWLZVKEF-JCAQTXDJSA-N

Molecular Formula

  • C32-H48-O9

Molecular Weight

  • 576.7222
 
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Names and Synonyms

Name of Substance

  • Cimicifugoside H-3

Synonyms

  • 9,19-Cyclochol-7-ene-16,23-dione, 11,24-dihydroxy-4,4,14-trimethyl-3-(beta-D-xylopyranosyloxy)-, (3beta,11beta)-
  • Cimicifugoside H 3
  • Cimicifugoside H-3
  • Cimicifugoside H-3, (-)-
  • UNII-561Z0P7AEV

Registry Numbers

CAS Registry Number

  • 163046-74-0

FDA UNII

  • 561Z0P7AEV

System Generated Number

  • 0163046740

Structure Descriptors

InChI

1S/C32H48O9/c1-16(10-17(34)13-33)24-18(35)11-29(4)21-7-6-20-28(2,3)23(41-27-26(39)25(38)19(36)14-40-27)8-9-31(20)15-32(21,31)22(37)12-30(24,29)5/h7,16,19-20,22-27,33,36-39H,6,8-15H2,1-5H3/t16-,19-,20+,22+,23+,24+,25+,26-,27+,29+,30-,31-,32+/m1/s1

InChIKey

QMZIBXOWLZVKEF-JCAQTXDJSA-N

Smiles

C[C@H](CC(=O)CO)[C@H]1C(=O)C[C@@]2([C@@]1(C[C@@H]([C@]34C2=CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C