CID 5275921

(11r)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

Structural Information

Molecular Formula
C18H26O4
SMILES
C[C@@H]1CCCCCCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI
InChI=1S/C18H26O4/c1-13-9-7-5-3-2-4-6-8-10-14-11-15(19)12-16(20)17(14)18(21)22-13/h11-13,19-20H,2-10H2,1H3/t13-/m1/s1
InChIKey
NPMCCMIBMODCMD-CYBMUJFWSA-N
Compound name
(4R)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19038 171.1
[M+Na]+ 329.17232 175.4
[M-H]- 305.17582 171.4
[M+NH4]+ 324.21692 181.6
[M+K]+ 345.14626 173.5
[M+H-H2O]+ 289.18036 168.5
[M+HCOO]- 351.18130 183.0
[M+CH3COO]- 365.19695 194.1
[M+Na-2H]- 327.15777 171.3
[M]+ 306.18255 162.9
[M]- 306.18365 162.9
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.