CID 127871

Veranisatin b

Structural Information

Molecular Formula
C16H20O9
SMILES
CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
InChI
InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
Compound name
methyl 5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

356.11072 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.117996 172.1
[M+Na]+ 379.099938 177.7
[M-H]- 355.103444 175.7
[M+NH4]+ 374.144543 185.7
[M+K]+ 395.073878 181.1
[M+H-H2O]+ 339.107980 166.7
[M+HCOO]- 401.108921 178.1
[M+CH3COO]- 415.124571 209.5
[M+Na-2H]- 377.085386 177.9
[M]+ 356.11017142 182.8
[M]- 356.11126858 182.8
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.