20 β-Dihydroprednisolone

enlarge

Systematic / IUPAC Name: 11,17,20,21-Tetrahydroxypregna-1,4-dien-3-one

ID: Reference1862

Other Names: Pregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-, (11b,20R)-;
(8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Formula: C21H30O5

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

20 β-Dihydroprednisolone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 158
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/20/2017 12:54:34 PM
View Mass Spec Data > >

Identificators

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/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3
InChI Key LCOVYWIXMAJCDS-UHFFFAOYSA-N
Canonical SMILES CC12CC(C3C(C1CCC2(C(CO)O)O)CCC4=CC(=O)C=CC34C)O
CAS
Splash
Other Names Pregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-, (11b,20R)-;
(8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

In Other Databases

PubChem 13962389
ChemSpider 14059242