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 202.6
[M+Na]+ 439.35464 210.8
[M+NH4]+ 434.39924 217.3
[M+K]+ 455.32858 200.1
[M-H]- 415.35814 212.4
[M+Na-2H]- 437.34009 207.8
[M]+ 416.36487 208.3
[M]- 416.36597 208.3
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.