CID 10575445

186824-61-3

Structural Information

Molecular Formula
C26H24O7
SMILES
CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=CC(=CC(=C5C2=O)O)OC
InChI
InChI=1S/C26H24O7/c1-11(2)14-10-15-22(29)19-16(27)8-12(31-5)9-17(19)32-24(15)20-18(14)23(30)25-13(21(20)28)6-7-26(3,4)33-25/h6-9,14,27-28,30H,1,10H2,2-5H3
InChIKey
CNWSDOLXOOXOCZ-UHFFFAOYSA-N
Compound name
5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

448.1522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.15948 207.3
[M+Na]+ 471.14142 217.8
[M-H]- 447.14492 212.8
[M+NH4]+ 466.18602 218.2
[M+K]+ 487.11536 215.7
[M+H-H2O]+ 431.14946 198.2
[M+HCOO]- 493.15040 214.9
[M+CH3COO]- 507.16605 215.8
[M+Na-2H]- 469.12687 210.1
[M]+ 448.15165 213.1
[M]- 448.15275 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.