CID 131752984

Epomuricenin b

Structural Information

Molecular Formula
C35H62O3
SMILES
CCCCCCCCCCCCCC/C=C/CCC1C(O1)CCCCCCCCCCC2=CC(OC2=O)C
InChI
InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-33-34(38-33)29-26-23-20-17-16-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19+
InChIKey
INAWEXWDPOFSPN-ZBJSNUHESA-N
Compound name
2-methyl-4-[10-[3-[(E)-octadec-3-enyl]oxiran-2-yl]decyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.4699 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.47718 240.8
[M+Na]+ 553.45912 241.6
[M-H]- 529.46262 245.5
[M+NH4]+ 548.50372 242.1
[M+K]+ 569.43306 235.0
[M+H-H2O]+ 513.46716 231.4
[M+HCOO]- 575.46810 255.1
[M+CH3COO]- 589.48375 254.2
[M+Na-2H]- 551.44457 233.3
[M]+ 530.46935 255.3
[M]- 530.47045 255.3
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.