Metabolite 5-alpha androsterone

Name

5-alpha androsterone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 290.447
Monoisotopic: 290.224580206

Chemical Formula

C₁₉H₃₀O₂

InChI Key

QGXBDMJGAMFCBF-OFLQVFCSSA-N

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-/m0/s1

IUPAC Name

(3aS,3bR,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00dl-0090000000-eee5e91d9afbb533b10c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-3c62aa0a3699de3bb72a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-2790000000-fc91c1871bbabb44a003
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-96253a78b199f8ccd389
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dr-0090000000-494181c072567523bd16
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-1900000000-6944f9394b755aa5af75

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.61743	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.01299	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.57437	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties