Systematic / IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
ID: Reference195
Other Names:
3β-Hydroxyandrost-5-en-17-one;
3β-Hydroxy-5-androsten-17-one;
Androst-5-en-17-one, 3-hydroxy-, (3β)-;
(3β)-3-Hydroxyandrost-5-en-17-one;
3β-Hydroxy-D5-androsten-17-one
; more
Formula: C19H28O2
Class: Therapeutics/Prescription Drugs Steroids/Vitamins/Hormones Endogenous Metabolites
Dehydroepiandrosterone (DHEA) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 567 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 12/7/2015 1:24:29 PM |
| InChI | InChI=1S/C19H28O2/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/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 |
| InChI Key | FMGSKLZLMKYGDP-USOAJAOKSA-N |
| Canonical SMILES | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C |
| CAS | 53430 |
| Splash | |
| Other Names |
3β-Hydroxyandrost-5-en-17-one; 3β-Hydroxy-5-androsten-17-one; Androst-5-en-17-one, 3-hydroxy-, (3β)-; (3β)-3-Hydroxyandrost-5-en-17-one; 3β-Hydroxy-D5-androsten-17-one; 3β-Hydroxyandrost-5-ene-17-one; Androst-5-en-17-one, 3β-hydroxy-; (3β)-3-Hydroxyandrost-5-ene-17-one; Dehydroepiandrosterone; Androstenolone; Diandrone; Prasterone; Psicosterone; Diandron; 17-Hormoforin; 17-Chetovis; Prestara; Andrestenol; Siscelar +; Epiandrosterone, 5-dehydro-; 5-Androsten-3β-ol-17-one; Deandros; Androst-5-ene-3β-ol-17-one; Anastar; Fidelin; Inflabloc; Aslera |
| HMDb | HMDB00077 |
| KEGG | C01227; D08409 |
| ChemIDPlus | 000053430 |
| ChemSpider | 5670 |
| ChEBI | CHEBI:28689 |
| Wikipedia | Dehydroepiandrosterone |
| ChEMBL | CHEMBL90593 |
| PubChem | 5881 |