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]+ 363.180216 181.7
[M+Na]+ 385.162158 186.5
[M-H]- 361.165664 183.5
[M+NH4]+ 380.206763 190.5
[M+K]+ 401.136098 185.8
[M+H-H2O]+ 345.170200 178.7
[M+HCOO]- 407.171141 194.2
[M+CH3COO]- 421.186791 207.1
[M+Na-2H]- 383.147606 180.0
[M]+ 362.17239142 177.2
[M]- 362.17348858 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.