PubChemLite - Artonin l (C22H20O7)

Structural Information

Molecular Formula

SMILES

CC1(C2CC3=C(C4=C(C=C(C(=C24)O1)O)OC)OC5=CC(=CC(=C5C3=O)O)OC)C

InChI

InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-15(17)28-20(10)18-14(27-4)8-13(24)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3

InChIKey

LDQNIBPJKBVZEF-UHFFFAOYSA-N

Compound name

8,17-dihydroxy-6,19-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-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]+	397.12818	189.9
[M+Na]+	419.11012	201.8
[M-H]-	395.11362	196.7
[M+NH4]+	414.15472	206.0
[M+K]+	435.08406	200.2
[M+H-H2O]+	379.11816	183.2
[M+HCOO]-	441.11910	202.4
[M+CH3COO]-	455.13475	201.1
[M+Na-2H]-	417.09557	194.7
[M]+	396.12035	199.8
[M]-	396.12145	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.12818

189.9

[M+Na]+

419.11012

201.8

[M-H]-

395.11362

196.7

[M+NH4]+

414.15472

206.0

[M+K]+

435.08406

200.2

[M+H-H2O]+

379.11816

183.2

[M+HCOO]-

441.11910

202.4

[M+CH3COO]-

455.13475

201.1

[M+Na-2H]-

417.09557

194.7

[M]+

396.12035

199.8

[M]-

396.12145

199.8

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

Artonin l

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe