CID 127870

Veranisatin a

Structural Information

Molecular Formula

C₁₆H₂₂O₈

SMILES

CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O

InChI

InChI=1S/C16H22O8/c1-8-3-4-16(21)13(8)5-9(24-11(18)10(13)17)15(20,7-22-2)14(16)6-23-12(14)19/h8-10,17,20-21H,3-7H2,1-2H3

InChIKey

LXPKORXZVZPYLY-UHFFFAOYSA-N

Compound name

5,7,11-trihydroxy-7-(methoxymethyl)-2-methylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 342.13147 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

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]+	343.138746	169.6
[M+Na]+	365.120688	175.7
[M-H]-	341.124194	173.4
[M+NH4]+	360.165293	184.0
[M+K]+	381.094628	178.1
[M+H-H2O]+	325.128730	163.8
[M+HCOO]-	387.129671	176.4
[M+CH3COO]-	401.145321	207.3
[M+Na-2H]-	363.106136	176.1
[M]+	342.13092142	180.2
[M]-	342.13201858	180.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.