CID 77963611

(15alpha,20r)-15,20-dihydroxypregn-4-en-3-one

Structural Information

Molecular Formula

C₂₁H₃₂O₃

SMILES

CC(C1CC(C2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O

InChI

InChI=1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,12,15-19,22,24H,4-9,11H2,1-3H3

InChIKey

OVQSVMZESAVYPN-UHFFFAOYSA-N

Compound name

15-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.23514 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.242416	183.3
[M+Na]+	355.224358	188.0
[M-H]-	331.227864	185.0
[M+NH4]+	350.268963	204.6
[M+K]+	371.198298	182.2
[M+H-H2O]+	315.232400	178.1
[M+HCOO]-	377.233341	189.8
[M+CH3COO]-	391.248991	191.2
[M+Na-2H]-	353.209806	181.4
[M]+	332.23459142	176.1
[M]-	332.23568858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.