CID 101193828

1-hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone

Structural Information

Molecular Formula
C26H30O7
SMILES
CC(=CCC1=C2C(=CC(=C1OC)OC)OC3=CC(=C(C(=C3C2=O)O)CC(C(=C)C)O)OC)C
InChI
InChI=1S/C26H30O7/c1-13(2)8-9-15-22-19(12-21(31-6)26(15)32-7)33-20-11-18(30-5)16(10-17(27)14(3)4)24(28)23(20)25(22)29/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3
InChIKey
ZIXGZQVFRYTLJJ-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.19916 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20644 209.2
[M+Na]+ 477.18838 222.3
[M+NH4]+ 472.23298 213.1
[M+K]+ 493.16232 217.3
[M-H]- 453.19188 210.6
[M+Na-2H]- 475.17383 209.4
[M]+ 454.19861 211.4
[M]- 454.19971 211.4
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.