| SpectraBase Spectrum ID |
BrZnbSOiI2I |
| Name |
(20S)-3-Oxopregna-1,4-diene-20-carboxaldehyde |
| Alternate Name(s) |
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanal
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O2 |
| InChI |
InChI=1S/C22H30O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12-14,17-20H,4-7,9,11H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey |
LPQTVWXHLFRUNM-HOFZUOGSSA-N |
| Molecular Weight |
326.480 g/mol |
| SMILES |
[C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](C=O)(C)[H])[H])[H])[H])C |
| SPLASH |
splash10-00di-0900000000-cf93b2169df17b915fda |
| Source of Spectrum |
J-73-7983-5 |
| Wiley ID |
1668721 |
