PubChemLite - Artonin m (C30H30O7)

Structural Information

Molecular Formula

SMILES

CC(=CCCC1(C2CC3=C(C4=C2C(=C(C=C4O)O)O1)OC5=CC6=C(C=CC(O6)(C)C)C(=C5C3=O)O)C)C

InChI

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

InChIKey

AKJMHCXQYHWXIY-UHFFFAOYSA-N

Compound name

12,21,23-trihydroxy-8,8,18-trimethyl-18-(4-methylpent-3-enyl)-3,7,19-trioxahexacyclo[15.6.1.02,15.04,13.06,11.020,24]tetracosa-1(24),2(15),4,6(11),9,12,20,22-octaen-14-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	222.5
[M+Na]+	525.18838	232.4
[M-H]-	501.19188	228.3
[M+NH4]+	520.23298	234.7
[M+K]+	541.16232	230.0
[M+H-H2O]+	485.19642	214.2
[M+HCOO]-	547.19736	226.4
[M+CH3COO]-	561.21301	229.9
[M+Na-2H]-	523.17383	223.8
[M]+	502.19861	230.3
[M]-	502.19971	230.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.20644

222.5

[M+Na]+

525.18838

232.4

[M-H]-

501.19188

228.3

[M+NH4]+

520.23298

234.7

[M+K]+

541.16232

230.0

[M+H-H2O]+

485.19642

214.2

[M+HCOO]-

547.19736

226.4

[M+CH3COO]-

561.21301

229.9

[M+Na-2H]-

523.17383

223.8

[M]+

502.19861

230.3

[M]-

502.19971

230.3

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

Artonin m

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe