Metabolite 6beta-hydroxy-androstenedione

Name

6beta-hydroxy-androstenedione

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 302.414
Monoisotopic: 302.188194697

Chemical Formula

C₁₉H₂₆O₃

InChI Key

WVAMBAWFDOYFOD-HAMDJXSXSA-N

InChI

InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13+,14-,16?,18-,19+/m1/s1

IUPAC Name

(3aS,3bS,9aR,9bR,11aS)-5-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione

SMILES

C[C@]12CC[C@@H]3[C@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fri-0094000000-a7b69ca22582722bc09b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-07da14d4e4a2dc6bbe9c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00n0-1891000000-e3007de7764682efbcae
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0019000000-b4f4a5a4b8a4b0f028df
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0znj-1192000000-f099d2145726cbf39191
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05gi-0910000000-81f8088b9ada214f5cf4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	174.3803	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.7383	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.58185	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties