11-Oxoetiocholanolone

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Systematic / IUPAC Name: (3α,5β)-3-Hydroxyandrostane-11,17-dione

ID: Reference6177

Other Names: 11-Ketoetiocholanolone;
11-Oxoaetiocholanolone;
5β-Androstan-3α-ol-11,17-dione;
Etiocholanol-11-one;
(3R,5R,8S,9S,10S,13S,14S)-10,13-Dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione ; more

Formula: C19H28O3

Class: Endogenous Metabolites

Spectral Data

11-Oxoetiocholanolone 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 705
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2016 9:08:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
InChI Key IUNYGQONJQTULL-UKZLPJRTSA-N
Canonical SMILES CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4=O)C)O
CAS 739275
Splash
Other Names 11-Ketoetiocholanolone;
11-Oxoaetiocholanolone;
5β-Androstan-3α-ol-11,17-dione;
Etiocholanol-11-one;
(3R,5R,8S,9S,10S,13S,14S)-10,13-Dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione;
(3R,5R,8S,9S,10S,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione;
(3R,5R,8S,9S,10S,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-quinone;
(3R,5R,8S,9S,10S,13S,14S)-3-Hydroxy-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-11,17(2H,9H)-dione;
3α-Hydroxy-11,17-dioxo-5β-androstane;
3α-Hydroxy-5β-androstane-11,17-dione

In Other Databases

PubChem 101850
ChemIDPlus 000739275
KEGG C14552
ChEBI CHEBI:34135
ChemSpider 92021
HMDb HMDB06031