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Chemical structure of Smilagenin acetate

GC61282

Smilagenin acetate

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-yl] acetate

Smilagenin acetate is a sapogenin derivative extracted from patent US20030004147A1

ChemicalCAS4947-75-5MW458.67FormulaC29H46O4
CAS number
4947-75-5
Molecular weight
458.67
Formula
C29H46O4
Solubility
Ethanol ： 10 mg/mL (21·80 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LVRAKYNQYKVPIK-BSPYNPCNSA-N
Catalogue number
GC61282
Brand
GLPBIO
Computed properties PubChem CID 225766 · XLogP 7.1 · TPSA 44.8 Ų · H-bond donors 0
XLogP
7.1
TPSA
44.8 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
33

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)OC(=O)C)C)C)C)OC1

Computed descriptors from PubChem (CID 225766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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