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Chemical structure of Smilagenin

GC37652

Smilagenin

Also known as (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol

Smilagenin (SMI) is a small-molecule steroidal sapogenin from Rhizoma anemarrhenae and Radix asparagi widely used in traditional Chinese medicine for treating chronic neurodegeneration diseases

ChemicalCAS126-18-1MW416.64FormulaC27H44O3
CAS number
126-18-1
Molecular weight
416.64
Formula
C27H44O3
Solubility
Ethanol： ≥ 10 mg/mL (24·00 mM); DMSO： ＜ 1 mg/mL (insoluble or slightly soluble)
InChIKey
GMBQZIIUCVWOCD-UQHLGXRBSA-N
Catalogue number
GC37652
Brand
GLPBIO
Computed properties PubChem CID 91439 · XLogP 6.5 · TPSA 38.7 Ų · H-bond donors 1
XLogP
6.5
TPSA
38.7 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
30

SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1

Computed descriptors from PubChem (CID 91439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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