CID 53801

Dtxsid20999068

Structural Information

Molecular Formula
C26H26O9
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)O)O
InChI
InChI=1S/C26H26O9/c1-10-7-14-18(16(8-10)32-3)13-9-17(33-4)20-15(27)6-5-12(19(20)24(13)35-26(14)31)25-23(30)22(29)21(28)11(2)34-25/h5-9,11,21-23,25,27-30H,1-4H3/t11-,21+,22+,23-,25-/m1/s1
InChIKey
LAFIWGHCXCBAPO-CGVLGGEFSA-N
Compound name
1-hydroxy-10,12-dimethoxy-8-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

482.15768 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.16496 216.5
[M+Na]+ 505.14690 226.3
[M-H]- 481.15040 223.5
[M+NH4]+ 500.19150 222.4
[M+K]+ 521.12084 225.8
[M+H-H2O]+ 465.15494 206.4
[M+HCOO]- 527.15588 225.2
[M+CH3COO]- 541.17153 240.4
[M+Na-2H]- 503.13235 217.0
[M]+ 482.15713 224.0
[M]- 482.15823 224.0
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.