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20-(2'-oxo-2'-phenylethylhydrazono)pregn-4-ene-3-one
SpectraBase Compound ID Kx7CmYVxiPc
InChI InChI=1S/C29H38N2O2/c1-19(31-30-18-27(33)20-7-5-4-6-8-20)24-11-12-25-23-10-9-21-17-22(32)13-15-28(21,2)26(23)14-16-29(24,25)3/h4-8,17,23-26,30H,9-16,18H2,1-3H3/b31-19-/t23-,24+,25-,26-,28-,29+/m0/s1
InChIKey BRULFSGFRALHJP-AIRQVFTASA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H38N2O2
Exact Mass 446.293328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bzf7vESpO69
Name 20-(2'-oxo-2'-phenylethylhydrazono)pregn-4-ene-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O2
InChI InChI=1S/C29H38N2O2/c1-19(31-30-18-27(33)20-7-5-4-6-8-20)24-11-12-25-23-10-9-21-17-22(32)13-15-28(21,2)26(23)14-16-29(24,25)3/h4-8,17,23-26,30H,9-16,18H2,1-3H3/b31-19-/t23-,24+,25-,26-,28-,29+/m0/s1
InChIKey BRULFSGFRALHJP-AIRQVFTASA-N
Literature Reference DOI 10.1002/ardp.201000366
Molecular Weight 446.635 g/mol
SMILES N(\N=C/([C@]1(CC[C@@]2([H])[C@@]3(CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[H])[H])C)CC(c1ccccc1)=O
SPLASH splash10-052g-0506900000-c190f29e18adc6f25065
Source of Spectrum APC-344-602-13
Synonyms (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-((Z)-1-(2-(2-oxo-2-phenylethyl)hydrazono)ethyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 1769264