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Structure

Cimicifugoside H1

CAS
163046-73-9
Catalog Number
ACM163046739
Category
Other Products
Molecular Weight
616.78
Molecular Formula
C35H52O9

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Specification

Synonyms
CIMICIFUGOSIDE H-1;CIMICIFUGOSIDE H-1(SH)
Canonical SMILES
CC(CC(=O)C1C(O1)(C)C)C2C(=O)CC3(C2(CC(C45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)O)C)C
InChI
InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1
InChI Key
PYBFXJMIKJNNAJ-GLWILYKISA-N
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