CID 281905

Cholest-5-en-7-one

Structural Information

Molecular Formula
C27H44O
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCCC4)C)C
InChI
InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h17-19,21-23,25H,6-16H2,1-5H3
InChIKey
GPXIDAWDPZQTOS-UHFFFAOYSA-N
Compound name
10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.3392 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.346476 203.7
[M+Na]+ 407.328418 205.4
[M-H]- 383.331924 206.5
[M+NH4]+ 402.373023 223.8
[M+K]+ 423.302358 199.0
[M+H-H2O]+ 367.336460 196.5
[M+HCOO]- 429.337401 209.7
[M+CH3COO]- 443.353051 227.0
[M+Na-2H]- 405.313866 197.9
[M]+ 384.33865142 197.5
[M]- 384.33974858 197.5
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