CID 10787706

Dulxanthone b

Structural Information

Molecular Formula
C24H26O6
SMILES
CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC3=C(C2=O)C=CC(=C3O)O)O)C
InChI
InChI=1S/C24H26O6/c1-12(2)6-8-14-19(26)18-20(27)15-10-11-17(25)21(28)24(15)30-23(18)16(22(14)29-5)9-7-13(3)4/h6-7,10-11,25-26,28H,8-9H2,1-5H3
InChIKey
SGSSJGOWXOYJNC-UHFFFAOYSA-N
Compound name
1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

410.17294 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18022 199.1
[M+Na]+ 433.16216 213.0
[M+NH4]+ 428.20676 203.7
[M+K]+ 449.13610 207.3
[M-H]- 409.16566 200.8
[M+Na-2H]- 431.14761 199.9
[M]+ 410.17239 201.5
[M]- 410.17349 201.5
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