CID 75310498

8-acetyl-t2 tetrol

Structural Information

Molecular Formula
C17H24O7
SMILES
CC1=CC2C(CC1OC(=O)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
InChI
InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3
InChIKey
JEDSAONQRSEAMA-UHFFFAOYSA-N
Compound name
[10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1522 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15948 173.0
[M+Na]+ 363.14142 182.5
[M-H]- 339.14492 177.7
[M+NH4]+ 358.18602 187.8
[M+K]+ 379.11536 182.3
[M+H-H2O]+ 323.14946 171.2
[M+HCOO]- 385.15040 179.8
[M+CH3COO]- 399.16605 208.0
[M+Na-2H]- 361.12687 178.1
[M]+ 340.15165 179.7
[M]- 340.15275 179.7
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.