CID 131751561

Cyclostenol

Structural Information

Molecular Formula
C28H48O2
SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CC(C5C3(C4)CCC(C5)O)O)C)C
InChI
InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)21-10-11-26(5)24-16-23(30)22-15-20(29)9-12-27(22)17-28(24,27)14-13-25(21,26)4/h18-24,29-30H,6-17H2,1-5H3
InChIKey
YYVUMXYSCXRWIL-UHFFFAOYSA-N
Compound name
12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.36542 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.37270 204.5
[M+Na]+ 439.35464 207.7
[M-H]- 415.35814 207.2
[M+NH4]+ 434.39924 221.0
[M+K]+ 455.32858 203.3
[M+H-H2O]+ 399.36268 199.9
[M+HCOO]- 461.36362 204.6
[M+CH3COO]- 475.37927 209.7
[M+Na-2H]- 437.34009 200.6
[M]+ 416.36487 201.7
[M]- 416.36597 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.