SpectraBase Spectrum ID |
IMg0WY2AKRi |
Name |
(8S,9S,10R,13S,14S,17S)-17-acetyl-4-bromo-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
Alternate Name(s) |
(8S,9S,10R,13S,14S,17S)-4-bromanyl-17-ethanoyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
4-Bromopregnane-3,20-dione |
CAS Registry Number |
26614-36-8 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H31BrO2 |
InChI |
InChI=1S/C21H31BrO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-17,19H,4-11H2,1-3H3/t13-,14+,15-,16-,17?,19?,20+,21+/m0/s1 |
InChIKey |
OXBIPVXLRIVPOH-VUNLOTMMSA-N |
Molecular Weight |
395.381 g/mol |
SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C(=O)C)[H])[H])([H])CCC2C(Br)C(CC1)=O)[H])C |
SPLASH |
splash10-014i-0009000000-35ed8e68f83fa7ffee08 |
Source of Spectrum |
X2-53-155-10 |
Wiley ID |
1603388 |