CID 4063836

6,8-diprenyleriodictyol

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-8-16-23(29)17(9-6-14(3)4)25-22(24(16)30)20(28)12-21(31-25)15-7-10-18(26)19(27)11-15/h5-7,10-11,21,26-27,29-30H,8-9,12H2,1-4H3
InChIKey
WWFVAIXZPACOBJ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

132
Patents

424.1886 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 203.9
[M+Na]+ 447.17782 210.0
[M-H]- 423.18132 207.0
[M+NH4]+ 442.22242 211.5
[M+K]+ 463.15176 205.5
[M+H-H2O]+ 407.18586 196.4
[M+HCOO]- 469.18680 213.7
[M+CH3COO]- 483.20245 226.2
[M+Na-2H]- 445.16327 198.8
[M]+ 424.18805 204.5
[M]- 424.18915 204.5
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

patents stripe