PubChemLite - Eriotriochin (C27H30O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)CC(O2)C(C)(C)OCCO)C

InChI

InChI=1S/C27H30O7/c1-15(2)5-10-18-25-19(13-21(34-25)27(3,4)33-12-11-28)23(30)22-24(31)20(14-32-26(18)22)16-6-8-17(29)9-7-16/h5-9,14,21,28-30H,10-13H2,1-4H3

InChIKey

GOCBWVPDSGUSDT-UHFFFAOYSA-N

Compound name

4-hydroxy-2-[2-(2-hydroxyethoxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-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]+	467.20644	214.5
[M+Na]+	489.18838	221.2
[M-H]-	465.19188	220.8
[M+NH4]+	484.23298	222.2
[M+K]+	505.16232	218.8
[M+H-H2O]+	449.19642	207.7
[M+HCOO]-	511.19736	225.3
[M+CH3COO]-	525.21301	233.5
[M+Na-2H]-	487.17383	214.1
[M]+	466.19861	220.9
[M]-	466.19971	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.20644

214.5

[M+Na]+

489.18838

221.2

[M-H]-

465.19188

220.8

[M+NH4]+

484.23298

222.2

[M+K]+

505.16232

218.8

[M+H-H2O]+

449.19642

207.7

[M+HCOO]-

511.19736

225.3

[M+CH3COO]-

525.21301

233.5

[M+Na-2H]-

487.17383

214.1

[M]+

466.19861

220.9

[M]-

466.19971

220.9

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

Eriotriochin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe