CID 131751147

Cohibin a

Structural Information

Molecular Formula
C35H64O4
SMILES
CCCCCCCCCCCC/C=C\CCC(C(CCCCCCCCCCCCC1=CC(OC1=O)C)O)O
InChI
InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-
InChIKey
GFUJWCRMULHYHE-QOCHGBHMSA-N
Compound name
4-[(Z)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.48047 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.48775 255.9
[M+Na]+ 571.46969 251.8
[M-H]- 547.47319 252.5
[M+NH4]+ 566.51429 243.3
[M+K]+ 587.44363 245.0
[M+H-H2O]+ 531.47773 246.7
[M+HCOO]- 593.47867 255.2
[M+CH3COO]- 607.49432 252.9
[M+Na-2H]- 569.45514 243.6
[M]+ 548.47992 264.9
[M]- 548.48102 264.9
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.