CID 5275914

(11r)-15-hydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione

Structural Information

Molecular Formula
C18H24O4
SMILES
C[C@@H]1CCCC(=O)CCCCCC2=C(C(=CC=C2)O)C(=O)O1
InChI
InChI=1S/C18H24O4/c1-13-7-5-11-15(19)10-4-2-3-8-14-9-6-12-16(20)17(14)18(21)22-13/h6,9,12-13,20H,2-5,7-8,10-11H2,1H3/t13-/m1/s1
InChIKey
HOVUGONJLIRBNO-CYBMUJFWSA-N
Compound name
(4R)-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.16745 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 168.9
[M+Na]+ 327.15667 174.0
[M-H]- 303.16017 170.7
[M+NH4]+ 322.20127 180.2
[M+K]+ 343.13061 172.4
[M+H-H2O]+ 287.16471 166.1
[M+HCOO]- 349.16565 182.6
[M+CH3COO]- 363.18130 195.7
[M+Na-2H]- 325.14212 169.6
[M]+ 304.16690 161.8
[M]- 304.16800 161.8
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.