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Chemical structure of Soyasapogenol A

GC37668

Soyasapogenol A

Also known as 9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol

Soyasapogenol A, a triterpene compound, isolated from the roots of Abrus cantoniensis

ChemicalCAS508-01-0MW474.72FormulaC30H50O4
CAS number
508-01-0
Molecular weight
474.72
Formula
C30H50O4
Solubility
DMSO ： 100 mg/mL (210·65 mM; Need ultrasonic)
InChIKey
CDDWAYFUFNQLRZ-UHFFFAOYSA-N
Catalogue number
GC37668
Brand
GLPBIO
Computed properties PubChem CID 12442845 · XLogP 5.8 · TPSA 80.9 Ų · H-bond donors 4
XLogP
5.8
TPSA
80.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
34

SMILES CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)O)C)C)C)(C)CO)O)C)C

Computed descriptors from PubChem (CID 12442845), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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