Corchoionoside a (C19H32O8)

Structural Information

Molecular Formula

SMILES

C[C@@H](/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O

InChI

InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13+,14-,15+,16+,18+,19-/m0/s1

InChIKey

SMBCGBWABYMHIN-DBCWZAFBSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[[(1R,3S,6S)-6-[(E,3S)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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]+	389.216996	185.2
[M+Na]+	411.198938	191.9
[M-H]-	387.202444	187.8
[M+NH4]+	406.243543	193.8
[M+K]+	427.172878	192.4
[M+H-H2O]+	371.206980	183.3
[M+HCOO]-	433.207921	188.9
[M+CH3COO]-	447.223571	214.4
[M+Na-2H]-	409.184386	187.4
[M]+	388.20917142	189.7
[M]-	388.21026858	189.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.216996

185.2

[M+Na]+

411.198938

191.9

[M-H]-

387.202444

187.8

[M+NH4]+

406.243543

193.8

[M+K]+

427.172878

192.4

[M+H-H2O]+

371.206980

183.3

[M+HCOO]-

433.207921

188.9

[M+CH3COO]-

447.223571

214.4

[M+Na-2H]-

409.184386

187.4

[M]+

388.20917142

189.7

[M]-

388.21026858

189.7

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

Corchoionoside a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe