Etiocholanolone

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Systematic / IUPAC Name: (3α,5β)-3-Hydroxyandrostan-17-one

ID: Reference6180

Other Names: α-Etiocholanolone;
3α-Etiocholanolone;
3a-Etiocholanolone;
5β-Androstan-3α-ol-17-one;
5β-Androstane-3α-ol-17-one ; more

Formula: C19H30O2

Class: Endogenous Metabolites

Spectral Data

Etiocholanolone 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1317
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/16/2016 12:12:14 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChI Key QGXBDMJGAMFCBF-BNSUEQOYSA-N
Canonical SMILES CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
CAS 53429
Splash
Other Names α-Etiocholanolone;
3α-Etiocholanolone;
3a-Etiocholanolone;
5β-Androstan-3α-ol-17-one;
5β-Androstane-3α-ol-17-one;
5β-Androsterone;
5B-Androstan-3A-ol-17-one;
5b-Androstane-3a-ol-17-one;
5b-Androsterone;
5-Isoandrosterone;
AE2;
Aetiocholanolone;
Androsterone, (5β)-;
Etiocholan-3α-ol-17-one;
Etiocholanone;
(3R,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;
3α-Hydroxy-5β-androstan-17-one;
3α-Hydroxy-5β-androstane-17-one;
3α-Hydroxyetiocholan-17-one;
3a-Hydroxy-5b-androstan-17-one;
3a-Hydroxy-5b-androstane-17-one;
5β-Androstan-17-one, 3α-hydroxy-;
Androstan-17-one, 3-hydroxy-, (3α,5β)-;
Androstan-17-one,3-hydroxy-, (3a,5b)-

In Other Databases

ChEBI CHEBI:28195
KEGG C04373
ChEMBL CHEMBL85799
ChemIDPlus 000053429
HMDb HMDB00490
ChemSpider 5669
DrugBank DB02854
PubChem 5880
Wikipedia Etiocholanolone