PubChemLite - Artocommunol ca (C26H24O6)

Structural Information

Molecular Formula

SMILES

CC(=CC1C2=C(C3=C(O1)C=C(C=C3)OC)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C

InChI

InChI=1S/C26H24O6/c1-13(2)10-20-22-23(28)21-17(27)12-19-16(8-9-26(3,4)32-19)24(21)31-25(22)15-7-6-14(29-5)11-18(15)30-20/h6-12,20,27H,1-5H3

InChIKey

MWXGNEFXTSBFQH-UHFFFAOYSA-N

Compound name

11-hydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-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]+	433.16458	205.2
[M+Na]+	455.14652	215.7
[M-H]-	431.15002	213.5
[M+NH4]+	450.19112	216.6
[M+K]+	471.12046	214.6
[M+H-H2O]+	415.15456	195.1
[M+HCOO]-	477.15550	215.0
[M+CH3COO]-	491.17115	214.7
[M+Na-2H]-	453.13197	209.8
[M]+	432.15675	212.4
[M]-	432.15785	212.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.16458

205.2

[M+Na]+

455.14652

215.7

[M-H]-

431.15002

213.5

[M+NH4]+

450.19112

216.6

[M+K]+

471.12046

214.6

[M+H-H2O]+

415.15456

195.1

[M+HCOO]-

477.15550

215.0

[M+CH3COO]-

491.17115

214.7

[M+Na-2H]-

453.13197

209.8

[M]+

432.15675

212.4

[M]-

432.15785

212.4

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

Artocommunol ca

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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