CID 10507050

Epomusenin a

Structural Information

Molecular Formula
C37H66O3
SMILES
CCCCCCCCCCCC/C=C\CCC1C(O1)CCCCCCCCCCCCCCC2=CC(OC2=O)C
InChI
InChI=1S/C37H66O3/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35-36(40-35)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)39-37(34)38/h21,24,32-33,35-36H,3-20,22-23,25-31H2,1-2H3/b24-21-
InChIKey
CQXDIWLWKUBMCF-FLFQWRMESA-N
Compound name
4-[14-[3-[(Z)-hexadec-3-enyl]oxiran-2-yl]tetradecyl]-2-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

558.5012 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.50848 248.6
[M+Na]+ 581.49042 248.6
[M-H]- 557.49392 252.8
[M+NH4]+ 576.53502 248.7
[M+K]+ 597.46436 241.4
[M+H-H2O]+ 541.49846 238.8
[M+HCOO]- 603.49940 262.2
[M+CH3COO]- 617.51505 259.6
[M+Na-2H]- 579.47587 240.1
[M]+ 558.50065 263.7
[M]- 558.50175 263.7
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

patents stripe