CID 76801427

Edulisin ii

Structural Information

Molecular Formula
C24H26O7
SMILES
CC(=CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C=C(C)C)C
InChI
InChI=1S/C24H26O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-12,22-23H,1-6H3
InChIKey
QMDNUCYGVSWWRO-UHFFFAOYSA-N
Compound name
[8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

426.16785 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17513 196.5
[M+Na]+ 449.15707 205.5
[M+NH4]+ 444.20167 200.1
[M+K]+ 465.13101 205.0
[M-H]- 425.16057 197.3
[M+Na-2H]- 447.14252 195.0
[M]+ 426.16730 197.7
[M]- 426.16840 197.7
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

patents stripe