PubChemLite - Sanggenol l (C25H26O6)

Structural Information

Molecular Formula

SMILES

CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C)C

InChI

InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-22(31-25)13-20(29)23-19(28)12-21(30-24(17)23)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,21,26-27,29H,4,9,12H2,1-3H3

InChIKey

MCDFUBPTGYOGCC-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]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]+	423.18022	203.3
[M+Na]+	445.16216	210.5
[M-H]-	421.16566	209.0
[M+NH4]+	440.20676	212.9
[M+K]+	461.13610	207.6
[M+H-H2O]+	405.17020	194.8
[M+HCOO]-	467.17114	212.5
[M+CH3COO]-	481.18679	225.6
[M+Na-2H]-	443.14761	204.2
[M]+	422.17239	204.9
[M]-	422.17349	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.18022

203.3

[M+Na]+

445.16216

210.5

[M-H]-

421.16566

209.0

[M+NH4]+

440.20676

212.9

[M+K]+

461.13610

207.6

[M+H-H2O]+

405.17020

194.8

[M+HCOO]-

467.17114

212.5

[M+CH3COO]-

481.18679

225.6

[M+Na-2H]-

443.14761

204.2

[M]+

422.17239

204.9

[M]-

422.17349

204.9

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

Sanggenol l

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe