CID 14539879

Kuwanol c

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCCC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3
InChIKey
FBVQKNJIYRJQBU-UHFFFAOYSA-N
Compound name
8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

422.17294 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.180216 203.3
[M+Na]+ 445.162158 210.5
[M-H]- 421.165664 209.0
[M+NH4]+ 440.206763 212.9
[M+K]+ 461.136098 207.6
[M+H-H2O]+ 405.170200 194.8
[M+HCOO]- 467.171141 212.5
[M+CH3COO]- 481.186791 225.6
[M+Na-2H]- 443.147606 204.2
[M]+ 422.17239142 204.9
[M]- 422.17348858 204.9
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