CID 131751252

28-norcycloeucalenone

Structural Information

Molecular Formula
C28H44O
SMILES
CCC(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5)C)C
InChI
InChI=1S/C28H44O/c1-6-19(2)7-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h20-21,23-24H,2,6-18H2,1,3-5H3
InChIKey
AYBINZCECLKGHP-UHFFFAOYSA-N
Compound name
12,16-dimethyl-15-(5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.3392 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.34648 200.9
[M+Na]+ 419.32842 210.1
[M+NH4]+ 414.37302 216.1
[M+K]+ 435.30236 198.0
[M-H]- 395.33192 211.4
[M+Na-2H]- 417.31387 207.1
[M]+ 396.33865 207.0
[M]- 396.33975 207.0
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.