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Chemical structure of Alisol B

GC35286

Alisol B

Also known as (8S,9S,10S,11S,14R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

Alisol B is a potentially novel therapeutic compound for bone disorders by targeting the differentiation of osteoclasts as well as their functions

ChemicalCAS18649-93-9MW472.7FormulaC30H48O4
CAS number
18649-93-9
Molecular weight
472.7
Formula
C30H48O4
Solubility
DMSO ： 100 mg/mL (211·55 mM; Need ultrasonic)
InChIKey
GBJKHDVRXAVITG-DXYWBWDESA-N
Catalogue number
GC35286
Brand
GLPBIO
Computed properties PubChem CID 189051 · XLogP 4.8 · TPSA 70.1 Ų · H-bond donors 2
XLogP
4.8
TPSA
70.1 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34

SMILES C[C@H](CC(C1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O

Computed descriptors from PubChem (CID 189051), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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