SpectraBase Spectrum ID |
JInUSXhkuCO |
Name |
Betamethasone |
CAS Registry Number |
378-44-9 |
Classification |
Pharmaceutical drug, glucocorticosteroid |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
392.199902192 u |
Formula |
C22H29FO5 |
InChI |
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3 |
InChIKey |
UREBDLICKHMUKA-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
392.467 g/mol |
Nominal Mass |
392 u |
Quality |
996 |
Retention Index |
3000 |
SMILES |
OCC(C1(C2(C(C3C(C4(C(CC3)=CC(C=C4)=O)C)(C(C2)O)F)CC1C)C)O)=O |
SPLASH |
splash10-00di-1920000000-4ac55452e7ed06850f84 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro- 11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-\rtrimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro- 3H-cyclopenta[a]phenanthren-3-one |
Technique |
GC/MS |
Wiley ID |
DD2024_018628 |