CID 528828

Alpha, beta, beta 20r 24s-methylcholestane

Structural Information

Molecular Formula
C28H50
SMILES
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
InChI
InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3
InChIKey
WAAWMJYYKITCGF-UHFFFAOYSA-N
Compound name
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.39127 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.39855 208.4
[M+Na]+ 409.38049 207.2
[M-H]- 385.38399 210.1
[M+NH4]+ 404.42509 228.0
[M+K]+ 425.35443 201.1
[M+H-H2O]+ 369.38853 201.0
[M+HCOO]- 431.38947 211.0
[M+CH3COO]- 445.40512 228.7
[M+Na-2H]- 407.36594 200.1
[M]+ 386.39072 199.1
[M]- 386.39182 199.1
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.