CID 5481476

1,6,7-trihydroxy-3-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

Structural Information

Molecular Formula
C24H26O6
SMILES
CC(=CCC1=C(C2=C(C=C1CO)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C24H26O6/c1-12(2)5-7-15-14(11-25)9-18-21(23(15)28)24(29)20-16(8-6-13(3)4)22(27)17(26)10-19(20)30-18/h5-6,9-10,25-28H,7-8,11H2,1-4H3
InChIKey
HODIDERFBMZRHC-UHFFFAOYSA-N
Compound name
1,6,7-trihydroxy-3-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.17294 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18022 199.3
[M+Na]+ 433.16216 208.6
[M-H]- 409.16566 201.1
[M+NH4]+ 428.20676 209.0
[M+K]+ 449.13610 203.8
[M+H-H2O]+ 393.17020 192.2
[M+HCOO]- 455.17114 211.9
[M+CH3COO]- 469.18679 224.0
[M+Na-2H]- 431.14761 197.9
[M]+ 410.17239 204.9
[M]- 410.17349 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

No patent data available for this compound.