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20.beta.-Hydroxy-4-aza-5-.alpha.-pregn-1-en-3-one
SpectraBase Compound ID 7gDVq5cbhGG
InChI InChI=1S/C20H31NO2/c1-12(22)14-5-6-15-13-4-7-17-20(3,11-9-18(23)21-17)16(13)8-10-19(14,15)2/h9,11-17,22H,4-8,10H2,1-3H3,(H,21,23)/t12-,13-,14+,15-,16-,17+,19+,20+/m0/s1
InChIKey ZVMBXTRSTZTDAG-CYHSRFGASA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBqWf2yp5uN
Name 20.beta.-Hydroxy-4-aza-5-.alpha.-pregn-1-en-3-one
Alternate Name(s) (4aR,4bS,6aS,7S,9aS,9bS,11aR)-7-[(1S)-1-hydroxyethyl]-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-12(22)14-5-6-15-13-4-7-17-20(3,11-9-18(23)21-17)16(13)8-10-19(14,15)2/h9,11-17,22H,4-8,10H2,1-3H3,(H,21,23)/t12-,13-,14+,15-,16-,17+,19+,20+/m0/s1
InChIKey ZVMBXTRSTZTDAG-CYHSRFGASA-N
Molecular Weight 317.473 g/mol
SMILES N1C(C=C[C@]2([C@]1(CC[C@]1([C@]3([C@@]([C@@]([C@@](O)(C)[H])(CC3)[H])(CC[C@]21[H])C)[H])[H])[H])C)=O
SPLASH splash10-02t9-0849000000-5edffff9d60e9a670440
Source of Spectrum I-69-1485-1
Wiley ID 1317849