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20-[(4'-Hydroxy-3'-phenyl-2',3'-dihydrothiazol-2'-yl)-hydrazono]pregn-4-ene-3-one
SpectraBase Compound ID F5h2az0co7n
InChI InChI=1S/C30H39N3O2S/c1-19(31-32-28-33(27(35)18-36-28)21-7-5-4-6-8-21)24-11-12-25-23-10-9-20-17-22(34)13-15-29(20,2)26(23)14-16-30(24,25)3/h4-8,17-18,23-26,28,32,35H,9-16H2,1-3H3/b31-19-/t23-,24+,25-,26-,28?,29-,30+/m0/s1
InChIKey GKKHMEBTSOALGO-LJMYMNLVSA-N
Mol Weight 505.7 g/mol
Molecular Formula C30H39N3O2S
Exact Mass 505.276299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Mi1ncDrlUl
Name 20-[(4'-Hydroxy-3'-phenyl-2',3'-dihydrothiazol-2'-yl)-hydrazono]pregn-4-ene-3-one
Alternate Name(s) (8S,9S,10R,13S,14S,17S)-17-((Z)-1-(2-(4-hydroxy-3-phenyl-2,3-dihydrothiazol-2-yl)hydrazono)ethyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H39N3O2S
InChI InChI=1S/C30H39N3O2S/c1-19(31-32-28-33(27(35)18-36-28)21-7-5-4-6-8-21)24-11-12-25-23-10-9-20-17-22(34)13-15-29(20,2)26(23)14-16-30(24,25)3/h4-8,17-18,23-26,28,32,35H,9-16H2,1-3H3/b31-19-/t23-,24+,25-,26-,28?,29-,30+/m0/s1
InChIKey GKKHMEBTSOALGO-LJMYMNLVSA-N
Literature Reference DOI 10.1002/ardp.201000366
Molecular Weight 505.721 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)C1N(C(=CS1)O)c1ccccc1
SPLASH splash10-004i-5009450000-0e0ce2ec273db4c46ccb
Source of Spectrum APC-344-601-8
Wiley ID 1769267