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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 178.1
[M+Na]+ 327.22945 181.5
[M-H]- 303.23295 181.6
[M+NH4]+ 322.27405 201.3
[M+K]+ 343.20339 176.3
[M+H-H2O]+ 287.23749 171.0
[M+HCOO]- 349.23843 187.4
[M+CH3COO]- 363.25408 186.6
[M+Na-2H]- 325.21490 178.0
[M]+ 304.23968 170.6
[M]- 304.24078 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.