PubChemLite - Epimedokoreanin a (C25H24O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC5=C(C(=C4)O)OC(C(C5O)O)(C)C)O

InChI

InChI=1S/C25H24O8/c1-10(2)17-7-12-19(31-17)9-15(27)20-14(26)8-18(32-23(12)20)11-5-13-21(29)24(30)25(3,4)33-22(13)16(28)6-11/h5-6,8-9,17,21,24,27-30H,1,7H2,2-4H3

InChIKey

WBPWEEMLAPPDRR-UHFFFAOYSA-N

Compound name

5-hydroxy-8-prop-1-en-2-yl-2-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-8,9-dihydrofuro[2,3-h]chromen-4-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]+	453.15441	207.3
[M+Na]+	475.13635	217.0
[M-H]-	451.13985	214.9
[M+NH4]+	470.18095	216.8
[M+K]+	491.11029	215.8
[M+H-H2O]+	435.14439	201.1
[M+HCOO]-	497.14533	214.4
[M+CH3COO]-	511.16098	216.0
[M+Na-2H]-	473.12180	207.0
[M]+	452.14658	212.0
[M]-	452.14768	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.15441

207.3

[M+Na]+

475.13635

217.0

[M-H]-

451.13985

214.9

[M+NH4]+

470.18095

216.8

[M+K]+

491.11029

215.8

[M+H-H2O]+

435.14439

201.1

[M+HCOO]-

497.14533

214.4

[M+CH3COO]-

511.16098

216.0

[M+Na-2H]-

473.12180

207.0

[M]+

452.14658

212.0

[M]-

452.14768

212.0

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

Epimedokoreanin a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe