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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13875 169.6
[M+Na]+ 365.12069 175.7
[M-H]- 341.12419 173.4
[M+NH4]+ 360.16529 184.0
[M+K]+ 381.09463 178.1
[M+H-H2O]+ 325.12873 163.8
[M+HCOO]- 387.12967 176.4
[M+CH3COO]- 401.14532 207.3
[M+Na-2H]- 363.10614 176.1
[M]+ 342.13092 180.2
[M]- 342.13202 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.