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]+ 385.34648 203.7
[M+Na]+ 407.32842 205.4
[M-H]- 383.33192 206.5
[M+NH4]+ 402.37302 223.8
[M+K]+ 423.30236 199.0
[M+H-H2O]+ 367.33646 196.5
[M+HCOO]- 429.33740 209.7
[M+CH3COO]- 443.35305 227.0
[M+Na-2H]- 405.31387 197.9
[M]+ 384.33865 197.5
[M]- 384.33975 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