Artonin t (C26H26O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3

InChIKey

WGHQJSXSGKUCQL-UHFFFAOYSA-N

Compound name

8,17,19-trihydroxy-6-methoxy-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]+	451.175126	208.5
[M+Na]+	473.157068	218.7
[M-H]-	449.160574	213.5
[M+NH4]+	468.201673	221.7
[M+K]+	489.131008	216.0
[M+H-H2O]+	433.165110	202.0
[M+HCOO]-	495.166051	217.0
[M+CH3COO]-	509.181701	217.3
[M+Na-2H]-	471.142516	209.2
[M]+	450.16730142	216.9
[M]-	450.16839858	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.175126

208.5

[M+Na]+

473.157068

218.7

[M-H]-

449.160574

213.5

[M+NH4]+

468.201673

221.7

[M+K]+

489.131008

216.0

[M+H-H2O]+

433.165110

202.0

[M+HCOO]-

495.166051

217.0

[M+CH3COO]-

509.181701

217.3

[M+Na-2H]-

471.142516

209.2

[M]+

450.16730142

216.9

[M]-

450.16839858

216.9

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

Artonin t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe