17beta,21beta-Epoxyhopan-3-one structure

17beta,21beta-Epoxyhopan-3-one

(1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-one

Also Known As: 17beta,21beta-Epoxyhopan-3-one|17,21-epoxyhopan-3-one|17beta,21beta-Epoxyhopane-3-one|J1.763.598K|(1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-one|(1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-hexamethyl-7-(propan-2-yl)-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-one

CAS: 131985-08-5
Molecular Formula C30H48O2
Molecular Weight 440.36542 g/mol
LogP 7.8
Topological Polar Surface Area 29.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 440.36542
Monoisotopic Mass 440.36542
Heavy Atoms 32
Complexity 874.0

Chemical Identifiers

CAS Number 131985-08-5
SMILES CC(C)[C@@]12CC[C@]3([C@@]1(O2)CC[C@@]4([C@@H]3CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)C)C
InChIKey CMWZPPYBIGXKPR-LPSJIVJRSA-N

Product Overview

17beta,21beta-Epoxyhopan-3-one (CAS 131985-08-5), with molecular formula C30H48O2 and molecular weight 440.36542 g/mol. IUPAC: (1R,2R,5S,7S,10R,11S,14R,15R,20R)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosan-18-one.

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