Euchrenone a11 (C30H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C5C(=C4)C=CC(O5)(C)C)O)O)C=CC(O2)(C)C)C

InChI

InChI=1S/C30H32O6/c1-16(2)7-8-19-27-18(10-12-30(5,6)36-27)26(33)25-22(32)15-24(34-28(19)25)20-13-17-9-11-29(3,4)35-23(17)14-21(20)31/h7,9-14,24,31,33H,8,15H2,1-6H3

InChIKey

AMOJEXAHLGXQEH-UHFFFAOYSA-N

Compound name

5-hydroxy-8-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-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]+	489.227156	222.6
[M+Na]+	511.209098	231.2
[M-H]-	487.212604	231.0
[M+NH4]+	506.253703	231.9
[M+K]+	527.183038	229.7
[M+H-H2O]+	471.217140	212.3
[M+HCOO]-	533.218081	228.3
[M+CH3COO]-	547.233731	229.9
[M+Na-2H]-	509.194546	223.1
[M]+	488.21933142	226.5
[M]-	488.22042858	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.227156

222.6

[M+Na]+

511.209098

231.2

[M-H]-

487.212604

231.0

[M+NH4]+

506.253703

231.9

[M+K]+

527.183038

229.7

[M+H-H2O]+

471.217140

212.3

[M+HCOO]-

533.218081

228.3

[M+CH3COO]-

547.233731

229.9

[M+Na-2H]-

509.194546

223.1

[M]+

488.21933142

226.5

[M]-

488.22042858

226.5

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

Euchrenone a11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe