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]+ 431.42476 219.4
[M+Na]+ 453.40670 217.7
[M-H]- 429.41020 219.5
[M+NH4]+ 448.45130 236.7
[M+K]+ 469.38064 211.3
[M+H-H2O]+ 413.41474 212.6
[M+HCOO]- 475.41568 219.9
[M+CH3COO]- 489.43133 235.3
[M+Na-2H]- 451.39215 209.6
[M]+ 430.41693 210.9
[M]- 430.41803 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.