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Chemical structure of 6,19-Dihydroxyurs-12-en-3-oxo-28-oic acid

GC74281

6,19-Dihydroxyurs-12-en-3-oxo-28-oic acid

Also listed as 6β,19-Dihydroxyurs-12-en-3-oxo-28-oic acid

6β,19-Didroxyurs-12-en-3-oxo-28-oic acid (Compound 14) is an osteoclast inhibitor with anti-osteoclastogenic activity

ChemicalCAS194027-11-7MW486.68FormulaC30H46O5
CAS number
194027-11-7
Molecular weight
486.68
Formula
C30H46O5
Solubility
DMSO ： 24·34 mg/mL (50·01 mM; Need ultrasonic and warming)
InChIKey
FBFIXJZBTJKFHW-YMRXGCIXSA-N
Catalogue number
GC74281
Brand
GLPBIO
Computed properties PubChem CID 91895454 · XLogP 4.3 · TPSA 94.8 Ų · H-bond donors 3
XLogP
4.3
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
35

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed descriptors from PubChem (CID 91895454), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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