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

1
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

patents stripe