| SpectraBase Spectrum ID |
4HNq8tvanI2 |
| Name |
(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid |
| 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]propanoic acid
(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]propanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1 |
| InChIKey |
OZESBBVMFLIODA-WAMTXRNCSA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
OC([C@]([C@@]1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC1)[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-001i-9000000000-d52486f6ab6acec37c39 |
| Source of Spectrum |
J-73-7983-6 |
| Wiley ID |
1668720 |
