β-Cortolone

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Systematic / IUPAC Name: (3R,5S,8S,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

ID: Reference6185

Other Names: β-Cortolon;
b-Cortolon ;
3A,17A,20A,21-Tetrahydroxy-5B-pregnan-11-one

Formula: C21H34O5

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 715
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/19/2016 12:41:01 PM
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Identificators

InChI InChI=1S/C21H34O5/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/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13+,14-,15-,17-,18+,19-,20-,21-/m0/s1
InChI Key JXCOSKURGJMQSG-NGNMYJGKSA-N
Canonical SMILES CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)O
CAS
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Other Names β-Cortolon;
b-Cortolon ;
3A,17A,20A,21-Tetrahydroxy-5B-pregnan-11-one

In Other Databases

WebBook 16513
PubChem 12304029