SpectraBase Spectrum ID |
B3pRb7i0mq8 |
Name |
Hydrocortisone |
CAS Registry Number |
50-23-7 |
Classification |
Pharmaceutical drug, glucocorticosteroid |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
362.209324061 u |
Formula |
C21H30O5 |
InChI |
InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
InChIKey |
JYGXADMDTFJGBT-VWUMJDOOSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
362.466 g/mol |
Nominal Mass |
362 u |
Quality |
997 |
Retention Index |
2825 |
SMILES |
OCC([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(CC4)=O)C)([C@](C2)(O)[H])[H])[H])(CC1)[H])C)O)=O |
SPLASH |
splash10-03kc-4910000000-a650b9a7e0eae65d0cb0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Cortisol
(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,- \r11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
Technique |
GC/MS |
Wiley ID |
DD2024_001636 |