CID 14101622

24-propylcholestan-3-ol

Structural Information

Molecular Formula
C30H54O
SMILES
CCCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C
InChI
InChI=1S/C30H54O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-28,31H,7-19H2,1-6H3
InChIKey
PRYZFHOWQYCASL-UHFFFAOYSA-N
Compound name
10,13-dimethyl-17-(5-propan-2-yloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

430.41748 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.424756 219.4
[M+Na]+ 453.406698 217.7
[M-H]- 429.410204 219.5
[M+NH4]+ 448.451303 236.7
[M+K]+ 469.380638 211.3
[M+H-H2O]+ 413.414740 212.6
[M+HCOO]- 475.415681 219.9
[M+CH3COO]- 489.431331 235.3
[M+Na-2H]- 451.392146 209.6
[M]+ 430.41693142 210.9
[M]- 430.41802858 210.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.