16-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one

SpectraBase Compound ID	5vNDNfkbIz6
InChI	InChI=1S/C27H40N2O2/c1-6-29-17(3)22(16(2)28-29)13-18-14-24-21-8-7-19-15-20(30)9-11-26(19,4)23(21)10-12-27(24,5)25(18)31/h13,19-21,23-24,30H,6-12,14-15H2,1-5H3/b18-13+
InChIKey	ZHLQDHFHQIQYGH-QGOAFFKASA-N Google Search
Mol Weight	424.6 g/mol
Molecular Formula	C27H40N2O2
Exact Mass	424.308979 g/mol

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SpectraBase Spectrum ID	4U4rbuSWVBH
Name	16-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-ylmethylene)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H40N2O2
InChI	InChI=1S/C27H40N2O2/c1-6-29-17(3)22(16(2)28-29)13-18-14-24-21-8-7-19-15-20(30)9-11-26(19,4)23(21)10-12-27(24,5)25(18)31/h13,19-21,23-24,30H,6-12,14-15H2,1-5H3/b18-13+
InChIKey	ZHLQDHFHQIQYGH-QGOAFFKASA-N
Molecular Weight	424.629 g/mol
SMILES	OC1CCC2(C(CCC3C2CCC2(C3C\C(C2=O)=C/c2c(n[n](c2C)CC)C)C)C1)C
SPLASH	splash10-03kc-3910100000-20bff044a6ca82827209
Synonyms	16-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-3-hydroxyandrostan-17-one (16E)-16-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-16-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-16-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylidene]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Wiley ID	1442447