Metabolite 20-dihydrodydrogesterone

Name

20-dihydrodydrogesterone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 310.5161
Monoisotopic: 310.266051088

Chemical Formula

C₂₃H₃₄

InChI Key

YUDUQGLCBDGGNA-UHFFFAOYSA-N

InChI

InChI=1S/C23H34/c1-15(2)19-8-9-20-18-7-6-17-14-16(3)10-12-22(17,4)21(18)11-13-23(19,20)5/h6-7,14-15,18-21H,3,8-13H2,1-2,4-5H3

IUPAC Name

9a,11a-dimethyl-7-methylidene-1-(propan-2-yl)-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene

SMILES

CC(C)C1CCC2C3C=CC4=CC(=C)CCC4(C)C3CCC12C

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-000t-0590000000-fedb2fded11fa0ca8fae
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0049000000-dc74c00e047ca5778dbe
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-70fbea545a1f03f34871
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-9860c90b0801584a77a5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0536-0390000000-7cf61edb7f59eb7cfec5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0469000000-36da5d6fabac4d6ff631
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0900000000-01edd824c8b4f217dfb7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	190.231912	predicted	DarkChem Lite v0.1.0
[M-H]-	176.76369	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.12169	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.22551	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties