| SpectraBase Spectrum ID |
CVVIlzaG0gJ |
| Name |
Prednisolone (or breakdown product) |
| Alternate Name(s) |
(11.beta.)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
| InChIKey |
OIGNJSKKLXVSLS-VWUMJDOOSA-N |
| Molecular Weight |
360.450 g/mol |
| SMILES |
OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3([C@](C[C@]12C)(O)[H])[H])C)=O)[H])[H])O)=O |
| SPLASH |
splash10-00di-3900000000-c3b228f7a12d79cd5baa |
| Source of Spectrum |
SWG-33-3053-0 |
| Wiley ID |
1810017 |
