CID 75213055

6-oxiraneboldenone(mixtureofdiastereomers)

Structural Information

Molecular Formula

C₂₀H₂₆O₃

SMILES

CC12CCC3C(C1CCC2O)CC4(CO4)C5=CC(=O)C=CC35C

InChI

InChI=1S/C20H26O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15,17,22H,3-4,6,8,10-11H2,1-2H3

InChIKey

ODMZYNAXKLSHLW-UHFFFAOYSA-N

Compound name

17-hydroxy-10,13-dimethylspiro[8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-6,2'-oxirane]-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.1882 Da
Monoisotopic Mass: 2.4
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]+	315.195476	176.1
[M+Na]+	337.177418	185.5
[M-H]-	313.180924	183.2
[M+NH4]+	332.222023	194.6
[M+K]+	353.151358	182.1
[M+H-H2O]+	297.185460	170.6
[M+HCOO]-	359.186401	184.6
[M+CH3COO]-	373.202051	186.0
[M+Na-2H]-	335.162866	179.7
[M]+	314.18765142	175.5
[M]-	314.18874858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.