CID 618582

(5alpha,14alpha)-14-methylcholestan-3-one

Structural Information

Molecular Formula
C28H48O
SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)C
InChI
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3
InChIKey
ZMYBKDLUDWAJSA-UHFFFAOYSA-N
Compound name
10,13,14-trimethyl-17-(6-methylheptan-2-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.3705 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37778 208.3
[M+Na]+ 423.35972 215.0
[M+NH4]+ 418.40432 221.6
[M+K]+ 439.33366 202.9
[M-H]- 399.36322 210.8
[M+Na-2H]- 421.34517 209.4
[M]+ 400.36995 210.3
[M]- 400.37105 210.3
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.