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 |