CID 5275912

[(11r)-17-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-15-yl] acetate

Structural Information

Molecular Formula
C20H26O6
SMILES
C[C@@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)OC(=O)C)C(=O)O1
InChI
InChI=1S/C20H26O6/c1-13-7-6-10-16(22)9-5-3-4-8-15-11-17(23)12-18(26-14(2)21)19(15)20(24)25-13/h11-13,23H,3-10H2,1-2H3/t13-/m1/s1
InChIKey
WODJCOQWULNJSV-CYBMUJFWSA-N
Compound name
[(4R)-16-hydroxy-4-methyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-18-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.17294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 181.7
[M+Na]+ 385.16216 186.5
[M-H]- 361.16566 183.5
[M+NH4]+ 380.20676 190.5
[M+K]+ 401.13610 185.8
[M+H-H2O]+ 345.17020 178.7
[M+HCOO]- 407.17114 194.2
[M+CH3COO]- 421.18679 207.1
[M+Na-2H]- 383.14761 180.0
[M]+ 362.17239 177.2
[M]- 362.17349 177.2
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.