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Chemical structure of Cimicifugoside

GC25251

Cimicifugoside

Also known as [(3'S,4'R,5'R,6'R,10'S,12'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate

Cimicifugoside is a triterpenoid originating from the rhizomes of Cimicifuga simplex, and acts to inhibit the subcellular transport of nucleosides

ChemicalCAS66176-93-0MW674.82FormulaC37H54O11
CAS number
66176-93-0
Molecular weight
674.82
Formula
C37H54O11
Solubility
DMSO： 100 mg/mL (148·19 mM);Water： 100 mg/mL (148·19 mM);Ethanol： 100 mg/mL (148·19 mM)
InChIKey
XUJMHSCMPCZWOV-NVJMOZEJSA-N
Catalogue number
GC25251
Brand
GLPBIO
Computed properties PubChem CID 128327 · XLogP 2.6 · TPSA 157 Ų · H-bond donors 4
XLogP
2.6
TPSA
157 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
48

SMILES C[C@@H]1CC2(C3C(O3)(C(O2)O)C)O[C@@H]4[C@H]1[C@]5([C@H](CC67C[C@@]68CCC(C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C

Computed descriptors from PubChem (CID 128327), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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