PubChemLite - Artonin j (C25H24O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C2=C3C(CC4=C2OC5=CC(=CC(=C5C4=O)O)O)C(OC3=C1O)(C)C)O)C

InChI

InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3

InChIKey

WQIPFMCXBWXUAV-UHFFFAOYSA-N

Compound name

6,8,17,19-tetrahydroxy-14,14-dimethyl-18-(3-methylbut-2-enyl)-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-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]+	437.15948	204.4
[M+Na]+	459.14142	214.8
[M-H]-	435.14492	208.3
[M+NH4]+	454.18602	217.6
[M+K]+	475.11536	211.6
[M+H-H2O]+	419.14946	198.5
[M+HCOO]-	481.15040	211.8
[M+CH3COO]-	495.16605	213.1
[M+Na-2H]-	457.12687	205.3
[M]+	436.15165	211.1
[M]-	436.15275	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.15948

204.4

[M+Na]+

459.14142

214.8

[M-H]-

435.14492

208.3

[M+NH4]+

454.18602

217.6

[M+K]+

475.11536

211.6

[M+H-H2O]+

419.14946

198.5

[M+HCOO]-

481.15040

211.8

[M+CH3COO]-

495.16605

213.1

[M+Na-2H]-

457.12687

205.3

[M]+

436.15165

211.1

[M]-

436.15275

211.1

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

Artonin j

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe