CID 42607884

Fulvinervin a

Structural Information

Molecular Formula
C25H26O4
SMILES
CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=CC=CC=C4)O)C
InChI
InChI=1S/C25H26O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-10,12-13,20,27H,11,14H2,1-4H3
InChIKey
YXRQIKPQCNDPMB-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19038 196.6
[M+Na]+ 413.17232 204.3
[M-H]- 389.17582 204.8
[M+NH4]+ 408.21692 208.9
[M+K]+ 429.14626 201.1
[M+H-H2O]+ 373.18036 187.6
[M+HCOO]- 435.18130 208.7
[M+CH3COO]- 449.19695 205.9
[M+Na-2H]- 411.15777 198.4
[M]+ 390.18255 198.1
[M]- 390.18365 198.1
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.