PubChemLite - Artelastofuran (C30H34O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=C(C=C(C=C4)O)O)CC=C(C)C)CC(O2)C(C)(C)O)C

InChI

InChI=1S/C30H34O7/c1-15(2)7-10-19-25(33)24-26(34)20(11-8-16(3)4)28-21(14-23(36-28)30(5,6)35)29(24)37-27(19)18-12-9-17(31)13-22(18)32/h7-9,12-13,23,31-32,34-35H,10-11,14H2,1-6H3

InChIKey

KTPLWHVBZCLIKT-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-3,6-bis(3-methylbut-2-enyl)-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]+	507.23772	227.2
[M+Na]+	529.21966	233.7
[M-H]-	505.22316	232.4
[M+NH4]+	524.26426	233.0
[M+K]+	545.19360	230.6
[M+H-H2O]+	489.22770	221.1
[M+HCOO]-	551.22864	234.5
[M+CH3COO]-	565.24429	243.1
[M+Na-2H]-	527.20511	222.6
[M]+	506.22989	232.4
[M]-	506.23099	232.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.23772

227.2

[M+Na]+

529.21966

233.7

[M-H]-

505.22316

232.4

[M+NH4]+

524.26426

233.0

[M+K]+

545.19360

230.6

[M+H-H2O]+

489.22770

221.1

[M+HCOO]-

551.22864

234.5

[M+CH3COO]-

565.24429

243.1

[M+Na-2H]-

527.20511

222.6

[M]+

506.22989

232.4

[M]-

506.23099

232.4

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

Artelastofuran

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe