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Chemical structure of Niloticin

GC76336

Niloticin

Also known as (9R,10R,13S,14S,17R)-17-[(2S,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Niloticin, tetracyclic triterpenoid compound, is a osteoclastogenesis inhibitor

ChemicalCAS115404-57-4MW456.7FormulaC30H48O3
CAS number
115404-57-4
Molecular weight
456.7
Formula
C30H48O3
Solubility
Acetone： ≥ 25 mg/mL (54·74 mM)
InChIKey
GKQMMZUXYRXFOH-IWPAKXEHSA-N
Catalogue number
GC76336
Brand
GLPBIO
Computed properties PubChem CID 189300 · XLogP 6.4 · TPSA 49.8 Ų · H-bond donors 1
XLogP
6.4
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
33

SMILES C[C@@H](C[C@H]([C@H]1C(O1)(C)C)O)[C@H]2CC[C@]3([C@]2(CC[C@H]4C3=CCC5[C@@]4(CCC(=O)C5(C)C)C)C)C

Computed descriptors from PubChem (CID 189300), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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