21-Deoxycortisol

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Systematic / IUPAC Name: 17-Acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

ID: Reference289

Other Names: 11β,17α-Dihydroxypregn-4-ene-3,20-dione;
21-Desoxycortisol;
Pregn-4-ene-11β-17α-diol-3-20-dione;
21-Deoxyhydrocortisone

Formula: C21H30O4

Class: Endogenous Metabolites

Spectral Data

21-Deoxycortisol 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 73
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/9/2014 1:58:08 PM
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Identificators

InChI InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChI Key LCZBQMKVFQNSJR-UJPCIWJBSA-N
Canonical SMILES O=C(C)C3(O)C2(CC(O)C4C1(/C(=C\C(=O)CC1)CCC4C2CC3)C)C
CAS 641770
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Other Names 11β,17α-Dihydroxypregn-4-ene-3,20-dione;
21-Desoxycortisol;
Pregn-4-ene-11β-17α-diol-3-20-dione;
21-Deoxyhydrocortisone

In Other Databases

ChEMBL CHEMBL1527439
ChemSpider 83796
ChemIDPlus 000641770
PubChem 92827