CID 272881

Cholestane-2,3-diol

Structural Information

Molecular Formula
C27H48O2
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C
InChI
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3
InChIKey
NWQBDOPDVUJEGJ-UHFFFAOYSA-N
Compound name
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.36542 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.37270 207.2
[M+Na]+ 427.35464 212.9
[M+NH4]+ 422.39924 218.3
[M+K]+ 443.32858 204.0
[M-H]- 403.35814 208.6
[M+Na-2H]- 425.34009 205.6
[M]+ 404.36487 208.4
[M]- 404.36597 208.4
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

patents stripe