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(16Z)-16-[(1-ethyl-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

View entire compound with spectra: 1 MS (GC)

(16Z)-16-[(1-ethyl-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
SpectraBase Compound ID 5blTkP0hlbE
InChI InChI=1S/C25H34N2O2/c1-4-27-15-16(14-26-27)11-17-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(17)29/h5,11,14-15,19-22,28H,4,6-10,12-13H2,1-3H3/b17-11-
InChIKey PWQGLTOZXWPJJS-BOPFTXTBSA-N
Mol Weight 394.6 g/mol
Molecular Formula C25H34N2O2
Exact Mass 394.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRR2r6oFWLN
Name (16Z)-16-[(1-ethyl-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O2
InChI InChI=1S/C25H34N2O2/c1-4-27-15-16(14-26-27)11-17-12-22-20-6-5-18-13-19(28)7-9-24(18,2)21(20)8-10-25(22,3)23(17)29/h5,11,14-15,19-22,28H,4,6-10,12-13H2,1-3H3/b17-11-
InChIKey PWQGLTOZXWPJJS-BOPFTXTBSA-N
Molecular Weight 394.559 g/mol
SMILES OC1CCC2(C3C(CC=C2C1)C1C(C(\C(C1)=C/c1cn[n](c1)CC)=O)(C)CC3)C
SPLASH splash10-052f-8921000000-5de0b0739e33135a4f43
Synonyms (16Z)-16-[(1-ethylpyrazol-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 (16Z)-16-[(1-ethylpyrazol-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 (16Z)-16-[(1-ethylpyrazol-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
Wiley ID 1510955