PubChemLite - Artonin p (C25H20O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CC2=C(C34C1(O3)C(=O)C(=CC4=O)O)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O

InChI

InChI=1S/C25H20O8/c1-10(2)13-7-12-19(29)18-14(26)8-16-11(5-6-23(3,4)32-16)20(18)31-22(12)25-17(28)9-15(27)21(30)24(13,25)33-25/h5-6,8-9,13,26-27H,1,7H2,2-4H3

InChIKey

OKKNFQLWCBMTDX-UHFFFAOYSA-N

Compound name

12,20-dihydroxy-8,8-dimethyl-17-prop-1-en-2-yl-3,9,23-trioxahexacyclo[16.4.1.01,18.02,15.04,13.05,10]tricosa-2(15),4(13),5(10),6,11,20-hexaene-14,19,22-trione

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]+	449.12308	201.0
[M+Na]+	471.10502	214.1
[M-H]-	447.10852	210.8
[M+NH4]+	466.14962	210.2
[M+K]+	487.07896	214.8
[M+H-H2O]+	431.11306	192.7
[M+HCOO]-	493.11400	206.1
[M+CH3COO]-	507.12965	210.4
[M+Na-2H]-	469.09047	206.9
[M]+	448.11525	210.5
[M]-	448.11635	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.12308

201.0

[M+Na]+

471.10502

214.1

[M-H]-

447.10852

210.8

[M+NH4]+

466.14962

210.2

[M+K]+

487.07896

214.8

[M+H-H2O]+

431.11306

192.7

[M+HCOO]-

493.11400

206.1

[M+CH3COO]-

507.12965

210.4

[M+Na-2H]-

469.09047

206.9

[M]+

448.11525

210.5

[M]-

448.11635

210.5

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

Artonin p

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe