CID 5275913

(11r)-15-hydroxy-11-methyl-17-tetrahydropyran-2-yloxy-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione

Structural Information

Molecular Formula
C23H32O6
SMILES
C[C@@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)OC3CCCCO3)O)C(=O)O1
InChI
InChI=1S/C23H32O6/c1-16-8-7-11-18(24)10-4-2-3-9-17-14-19(29-21-12-5-6-13-27-21)15-20(25)22(17)23(26)28-16/h14-16,21,25H,2-13H2,1H3/t16-,21?/m1/s1
InChIKey
QPTONHCVSMQVOU-UJONTBEJSA-N
Compound name
(4R)-18-hydroxy-4-methyl-16-(oxan-2-yloxy)-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

404.21988 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22716 194.3
[M+Na]+ 427.20910 196.1
[M-H]- 403.21260 198.4
[M+NH4]+ 422.25370 199.2
[M+K]+ 443.18304 195.9
[M+H-H2O]+ 387.21714 189.7
[M+HCOO]- 449.21808 202.5
[M+CH3COO]- 463.23373 214.4
[M+Na-2H]- 425.19455 192.0
[M]+ 404.21933 185.8
[M]- 404.22043 185.8
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.