| SpectraBase Spectrum ID |
JHZWBPXf0ls |
| Name |
Cortison acetate |
| CAS Registry Number |
53-06-5 |
| Classification |
Pharmaceutical drug, cancer therapeutic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.204238680 u |
| Formula |
C23H30O6 |
| InChI |
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1 |
| InChIKey |
ITRJWOMZKQRYTA-RFZYENFJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
402.487 g/mol |
| Nominal Mass |
402 u |
| Quality |
957 |
| Retention Index |
3110 |
| SMILES |
O[C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(CC4)=O)C)(C(C2)=O)[H])[H])(CC1)[H])C)C(COC(=O)C)=O |
| SPLASH |
splash10-0006-9720000000-a0d59d797846c00dc31f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,\r10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2-oxoethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000805 |
