CID 44260100

Lupinalbin f

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C
InChI
InChI=1S/C25H24O6/c1-12(2)5-7-14-18(27)11-19-21(22(14)28)23(29)20-16-9-10-17(26)15(8-6-13(3)4)24(16)31-25(20)30-19/h5-6,9-11,26-28H,7-8H2,1-4H3
InChIKey
WNJJWUYKQKUQED-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-2,7-bis(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1573 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 203.2
[M+Na]+ 443.14652 214.6
[M-H]- 419.15002 208.9
[M+NH4]+ 438.19112 214.7
[M+K]+ 459.12046 210.5
[M+H-H2O]+ 403.15456 197.0
[M+HCOO]- 465.15550 217.8
[M+CH3COO]- 479.17115 226.8
[M+Na-2H]- 441.13197 203.3
[M]+ 420.15675 212.5
[M]- 420.15785 212.5
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.