PubChemLite - Artonin b (C30H30O7)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)CC(C5=C4C(=CC(=C5O)O)O)C(=C)C)O)C=CC(O2)(C)C)C

InChI

InChI=1S/C30H30O7/c1-13(2)7-8-16-27-15(9-10-30(5,6)37-27)24(33)23-25(34)18-11-17(14(3)4)21-22(29(18)36-28(16)23)19(31)12-20(32)26(21)35/h7,9-10,12,17,31-33,35H,3,8,11H2,1-2,4-6H3

InChIKey

IGNKZOMBJGAKHN-UHFFFAOYSA-N

Compound name

5,7,8,15-tetrahydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-10-prop-1-en-2-yl-2,20-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-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]+	503.20644	223.6
[M+Na]+	525.18838	237.6
[M+NH4]+	520.23298	229.8
[M+K]+	541.16232	229.9
[M-H]-	501.19188	227.5
[M+Na-2H]-	523.17383	222.3
[M]+	502.19861	226.9
[M]-	502.19971	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.20644

223.6

[M+Na]+

525.18838

237.6

[M+NH4]+

520.23298

229.8

[M+K]+

541.16232

229.9

[M-H]-

501.19188

227.5

[M+Na-2H]-

523.17383

222.3

[M]+

502.19861

226.9

[M]-

502.19971

226.9

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

Artonin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe