CID 15958472

1,5,6-trihydroxy-4-(2-isopropenyl-5-methyl-hex-4-enyl)-3-methyl-xanthen-9-one

Structural Information

Molecular Formula
C24H26O5
SMILES
CC1=CC(=C2C(=C1CC(CC=C(C)C)C(=C)C)OC3=C(C2=O)C=CC(=C3O)O)O
InChI
InChI=1S/C24H26O5/c1-12(2)6-7-15(13(3)4)11-17-14(5)10-19(26)20-21(27)16-8-9-18(25)22(28)24(16)29-23(17)20/h6,8-10,15,25-26,28H,3,7,11H2,1-2,4-5H3
InChIKey
HDESTDWGVBDQBL-UHFFFAOYSA-N
Compound name
1,5,6-trihydroxy-3-methyl-4-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.178 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18528 195.2
[M+Na]+ 417.16722 204.0
[M-H]- 393.17072 198.1
[M+NH4]+ 412.21182 206.0
[M+K]+ 433.14116 199.5
[M+H-H2O]+ 377.17526 188.1
[M+HCOO]- 439.17620 208.2
[M+CH3COO]- 453.19185 223.8
[M+Na-2H]- 415.15267 193.7
[M]+ 394.17745 200.2
[M]- 394.17855 200.2
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.