16α-Hydroxydehydroepiandrosterone

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Systematic / IUPAC Name: (3β,16α)-3,16-Dihydroxyandrost-5-en-17-one

ID: Reference6193

Other Names: 5-Androstene-3β,16α-diol-17-one;
Androst-5-ene-3b-16a-diol-17-one;
(3S,8R,9S,10R,13S,14S,16R)-3,16-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;
16α-Hydroxydehydroepiandrosterone;
16α-Hydroxydehydroisoandrosterone ; more

Formula: C19H28O3

Class: Endogenous Metabolites

Spectral Data

16α-Hydroxydehydroepiandrosterone 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 2315
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/4/2017 12:34:55 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
InChI Key QQIVKFZWLZJXJT-DNKQKWOHSA-N
Canonical SMILES CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)O)C)O
CAS 1232731
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Other Names 5-Androstene-3β,16α-diol-17-one;
Androst-5-ene-3b-16a-diol-17-one;
(3S,8R,9S,10R,13S,14S,16R)-3,16-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;
16α-Hydroxydehydroepiandrosterone;
16α-Hydroxydehydroisoandrosterone;
16a-Hydroxydehydroandrosterone;
16a-Hydroxydehydroepiandrosterone;
16a-Hydroxydehydroisoandrosterone;
16-Hydroxydehydroandrosterone;
3β,16α-Dihydroxyandrost-5-en-17-one;
3b,16a-Dihydroxyandrost-5-en-17-one;
16a-Hydroxy-DHEA

In Other Databases

PubChem 102030
ChEBI CHEBI:27771
HMDb HMDB00352
ChemIDPlus 001232731
Wikipedia 16-Hydroxydehydroepiandrosterone
KEGG C05139
ChemSpider 92168
ChEMBL CHEMBL2057645