PubChemLite - 8-prenyllepidissipyrone (C29H30O7)

Structural Information

Molecular Formula

SMILES

CCC1=C(C(=C(C(=O)O1)CC2=C(C3=C(C(=C2O)CC=C(C)C)OC(CC3=O)C4=CC=CC=C4)O)O)C

InChI

InChI=1S/C29H30O7/c1-5-22-16(4)25(31)20(29(34)36-22)13-19-26(32)18(12-11-15(2)3)28-24(27(19)33)21(30)14-23(35-28)17-9-7-6-8-10-17/h6-11,23,31-33H,5,12-14H2,1-4H3

InChIKey

GMFRUUZSYCHLQH-UHFFFAOYSA-N

Compound name

6-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-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]+	491.20644	223.4
[M+Na]+	513.18838	231.0
[M-H]-	489.19188	232.1
[M+NH4]+	508.23298	227.4
[M+K]+	529.16232	228.0
[M+H-H2O]+	473.19642	213.2
[M+HCOO]-	535.19736	234.5
[M+CH3COO]-	549.21301	241.9
[M+Na-2H]-	511.17383	219.1
[M]+	490.19861	227.9
[M]-	490.19971	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.20644

223.4

[M+Na]+

513.18838

231.0

[M-H]-

489.19188

232.1

[M+NH4]+

508.23298

227.4

[M+K]+

529.16232

228.0

[M+H-H2O]+

473.19642

213.2

[M+HCOO]-

535.19736

234.5

[M+CH3COO]-

549.21301

241.9

[M+Na-2H]-

511.17383

219.1

[M]+

490.19861

227.9

[M]-

490.19971

227.9

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

8-prenyllepidissipyrone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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