PubChemLite - Dtxsid20999068 (C26H26O9)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.16496	215.9
[M+Na]+	505.14690	231.6
[M+NH4]+	500.19150	221.0
[M+K]+	521.12084	226.4
[M-H]-	481.15040	221.8
[M+Na-2H]-	503.13235	216.3
[M]+	482.15713	219.9
[M]-	482.15823	219.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.16496

215.9

[M+Na]+

505.14690

231.6

[M+NH4]+

500.19150

221.0

[M+K]+

521.12084

226.4

[M-H]-

481.15040

221.8

[M+Na-2H]-

503.13235

216.3

[M]+

482.15713

219.9

[M]-

482.15823

219.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dtxsid20999068

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe