Sanggenone k (C30H32O6)

Structural Information

Molecular Formula

SMILES

CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C

InChI

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

InChIKey

JDZJUEFVZGTGIJ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-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	223.7
[M+Na]+	511.209098	231.3
[M-H]-	487.212604	229.7
[M+NH4]+	506.253703	230.8
[M+K]+	527.183038	227.7
[M+H-H2O]+	471.217140	214.6
[M+HCOO]-	533.218081	233.1
[M+CH3COO]-	547.233731	240.6
[M+Na-2H]-	509.194546	222.0
[M]+	488.21933142	228.7
[M]-	488.22042858	228.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.227156

223.7

[M+Na]+

511.209098

231.3

[M-H]-

487.212604

229.7

[M+NH4]+

506.253703

230.8

[M+K]+

527.183038

227.7

[M+H-H2O]+

471.217140

214.6

[M+HCOO]-

533.218081

233.1

[M+CH3COO]-

547.233731

240.6

[M+Na-2H]-

509.194546

222.0

[M]+

488.21933142

228.7

[M]-

488.22042858

228.7

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

Sanggenone k

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe