CID 10670015

Dulxanthone c

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)CC=C(C)C)O)OC)C
InChI
InChI=1S/C25H28O6/c1-13(2)7-9-15-11-19(30-6)22(27)25-20(15)23(28)21-17(26)12-18(29-5)16(24(21)31-25)10-8-14(3)4/h7-8,11-12,26-27H,9-10H2,1-6H3
InChIKey
ZAAAUPCCIDWPPI-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-3,6-dimethoxy-4,8-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

424.1886 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 202.9
[M+Na]+ 447.17782 212.6
[M-H]- 423.18132 207.3
[M+NH4]+ 442.22242 213.4
[M+K]+ 463.15176 209.1
[M+H-H2O]+ 407.18586 195.0
[M+HCOO]- 469.18680 218.2
[M+CH3COO]- 483.20245 230.9
[M+Na-2H]- 445.16327 201.9
[M]+ 424.18805 212.4
[M]- 424.18915 212.4
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

patents stripe