| SpectraBase Spectrum ID |
JFkCLAKKSrQ |
| Name |
Methylprednisolone-A (-C2H4O2) |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.188194694 u |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-11-8-13-14-4-5-17(23)20(14,3)10-16(22)18(13)19(2)7-6-12(21)9-15(11)19/h5-7,9,11,13-14,16,18,22-23H,4,8,10H2,1-3H3/t11-,13-,14-,16-,18+,19-,20-/m0/s1 |
| InChIKey |
FYDXZMBBESPMBY-CCASCXMYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.425 g/mol |
| Nominal Mass |
314 u |
| Quality |
994 |
| Retention Index |
2798 |
| SMILES |
O[C@@]1([C@]2([C@]([C@]3([C@@](C(=CC3)O)(C1)C)[H])(C[C@@](C=1[C@@]2(C=CC(C1)=O)C)(C)[H])[H])[H])[H] |
| SPLASH |
splash10-000i-3900000000-8c17dadac0b49671dba2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(hydroxyacetyl)-5,9a,11a-trimethyl-\r1,2,3,3a,3b,4,5,9a,9b,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033576 |
