CID 43866

4-methylcholest-8(14)-en-3-ol

Structural Information

Molecular Formula
C28H48O
SMILES
CC1C2CCC3=C4CCC(C4(CCC3C2(CCC1O)C)C)C(C)CCCC(C)C
InChI
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3
InChIKey
UIPYFONRKZTOIY-UHFFFAOYSA-N
Compound name
4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

400.3705 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37778 207.6
[M+Na]+ 423.35972 215.1
[M+NH4]+ 418.40432 219.5
[M+K]+ 439.33366 204.9
[M-H]- 399.36322 210.2
[M+Na-2H]- 421.34517 207.6
[M]+ 400.36995 209.6
[M]- 400.37105 209.6
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

patents stripe