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Structure

Cimicifugoside H2

CAS
161097-77-4
Catalog Number
ACM161097774
Category
Other Products
Molecular Weight
634.8
Molecular Formula
C35H54O10

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Specification

Synonyms
CIMICIFUGOSIDE H-2
IUPAC Name
CIMICIFUGOSIDE H-2
Canonical SMILES
CC(CC(=O)C(C(C)(C)O)O)C1C(=O)CC2(C1(CC(C34C2=CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)O)C)C
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
InChI Key
SUNYLGIAMKNXMN-GLWILYKISA-N
Melting Point
227-229ºC
Appearance
Powder
Exact Mass
634.37200
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