CID 12939455

A long-chain sterol ester

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

CC12CCCC1C3CCC4CC(CCC4(C3CC2)C)OC=O

InChI

InChI=1S/C20H32O2/c1-19-9-3-4-17(19)16-6-5-14-12-15(22-13-21)7-11-20(14,2)18(16)8-10-19/h13-18H,3-12H2,1-2H3

InChIKey

GCZVUXHTHAXJFH-UHFFFAOYSA-N

Compound name

(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.24023 Da
Monoisotopic Mass: 6.5
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]+	305.247506	178.1
[M+Na]+	327.229448	181.5
[M-H]-	303.232954	181.6
[M+NH4]+	322.274053	201.3
[M+K]+	343.203388	176.3
[M+H-H2O]+	287.237490	171.0
[M+HCOO]-	349.238431	187.4
[M+CH3COO]-	363.254081	186.6
[M+Na-2H]-	325.214896	178.0
[M]+	304.23968142	170.6
[M]-	304.24077858	170.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.