PubChemLite - 3-[[4-hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one (C30H32O10)

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1O)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)CC3C(COC3=O)CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C30H32O10/c1-37-25-11-16(4-6-23(25)32)8-19-15-40-30(36)20(19)9-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,31-33,35H,8-9,14-15H2,1-3H3

InChIKey

CXFUYRRLYOTRBZ-UHFFFAOYSA-N

Compound name

3-[[4-hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-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]+	553.20678	228.9
[M+Na]+	575.18872	232.1
[M-H]-	551.19222	237.6
[M+NH4]+	570.23332	230.5
[M+K]+	591.16266	231.4
[M+H-H2O]+	535.19676	219.3
[M+HCOO]-	597.19770	240.8
[M+CH3COO]-	611.21335	247.8
[M+Na-2H]-	573.17417	221.1
[M]+	552.19895	234.7
[M]-	552.20005	234.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.20678

228.9

[M+Na]+

575.18872

232.1

[M-H]-

551.19222

237.6

[M+NH4]+

570.23332

230.5

[M+K]+

591.16266

231.4

[M+H-H2O]+

535.19676

219.3

[M+HCOO]-

597.19770

240.8

[M+CH3COO]-

611.21335

247.8

[M+Na-2H]-

573.17417

221.1

[M]+

552.19895

234.7

[M]-

552.20005

234.7

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

3-[[4-hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe