CID 20978310

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

Structural Information

Molecular Formula
C26H30O7
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC(C(=C)C)O)OC)C
InChI
InChI=1S/C26H30O7/c1-13(2)8-9-15-18(30-5)11-20-23(24(15)28)25(29)22-16(10-17(27)14(3)4)26(32-7)21(31-6)12-19(22)33-20/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3
InChIKey
IUZNOAOULJFDJI-UHFFFAOYSA-N
Compound name
1-hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-2-(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 209.4
[M+Na]+ 477.18838 217.8
[M-H]- 453.19188 213.5
[M+NH4]+ 472.23298 218.3
[M+K]+ 493.16232 215.7
[M+H-H2O]+ 437.19642 201.2
[M+HCOO]- 499.19736 223.4
[M+CH3COO]- 513.21301 237.7
[M+Na-2H]- 475.17383 207.0
[M]+ 454.19861 220.1
[M]- 454.19971 220.1
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.