CID 54600668

Eucannabinolide

Structural Information

Molecular Formula
C22H28O8
SMILES
C/C/1=C\CC(/C(=C/C2C(C(C1)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2)/C)OC(=O)C
InChI
InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10+,16-7+
InChIKey
XYPJAWWDSQFSQA-VISQRNLASA-N
Compound name
[(6E,10E)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18568 195.6
[M+Na]+ 443.16762 201.1
[M+NH4]+ 438.21222 196.5
[M+K]+ 459.14156 201.4
[M-H]- 419.17112 193.2
[M+Na-2H]- 441.15307 191.4
[M]+ 420.17785 194.6
[M]- 420.17895 194.6
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.