CID 14237668

Lupinisol a

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)CC(C(=C)C)O)O)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-6-16-9-15(7-8-19(16)26)18-12-31-22-11-21(28)17(10-20(27)14(3)4)24(29)23(22)25(18)30/h5,7-9,11-12,20,26-29H,3,6,10H2,1-2,4H3
InChIKey
ALEUBOFIDHNMTA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17294 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 202.2
[M+Na]+ 445.16216 208.9
[M-H]- 421.16566 205.7
[M+NH4]+ 440.20676 209.5
[M+K]+ 461.13610 204.6
[M+H-H2O]+ 405.17020 194.3
[M+HCOO]- 467.17114 213.8
[M+CH3COO]- 481.18679 225.7
[M+Na-2H]- 443.14761 198.3
[M]+ 422.17239 204.6
[M]- 422.17349 204.6
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.