CID 273136

Cholest-2-ene, (5.alpha.)-

Structural Information

Molecular Formula
C27H46
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC=CC4)C)C
InChI
InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,19-25H,8-18H2,1-5H3
InChIKey
UTGYMZAUDAYPOM-UHFFFAOYSA-N
Compound name
10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.35995 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.36723 202.9
[M+Na]+ 393.34917 203.5
[M-H]- 369.35267 205.3
[M+NH4]+ 388.39377 223.4
[M+K]+ 409.32311 196.9
[M+H-H2O]+ 353.35721 195.1
[M+HCOO]- 415.35815 208.5
[M+CH3COO]- 429.37380 224.5
[M+Na-2H]- 391.33462 197.2
[M]+ 370.35940 195.4
[M]- 370.36050 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.