For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

16-(1,3-Dimethyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

16-(1,3-Dimethyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 9iYXb4sTwwe
InChI InChI=1S/C25H34N2O2/c1-15-17(14-27(4)26-15)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h5,11,14,19-22,28H,6-10,12-13H2,1-4H3/b16-11+
InChIKey ACQJQYXDUPWECK-LFIBNONCSA-N
Mol Weight 394.6 g/mol
Molecular Formula C25H34N2O2
Exact Mass 394.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IeIAaAEK8ss
Name 16-(1,3-Dimethyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O2
InChI InChI=1S/C25H34N2O2/c1-15-17(14-27(4)26-15)11-16-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(16)29/h5,11,14,19-22,28H,6-10,12-13H2,1-4H3/b16-11+
InChIKey ACQJQYXDUPWECK-LFIBNONCSA-N
Molecular Weight 394.559 g/mol
SMILES OC1CCC2(C3CCC4(C(C3CC=C2C1)C\C(C4=O)=C/c1c[n](nc1C)C)C)C
SPLASH splash10-000x-5923000000-d15d3966b8de37f77eab
Synonyms (16E)-16-[(1,3-dimethyl-4-pyrazolyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-16-[(1,3-dimethylpyrazol-4-yl)methylene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-16-[(1,3-dimethylpyrazol-4-yl)methylidene]-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-16-[(1,3-dimethylpyrazol-4-yl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one 16-[(1,3-Dimethyl-1H-pyrazol-4-yl)methylene]-3-hydroxyandrost-5-en-17-one
Wiley ID 1461568