CID 90657513

(3s,7r)-11-methoxy-3,7-dimethyl-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione

Structural Information

Molecular Formula
C19H16O7
SMILES
C[C@@]12C=CO[C@@]1(OC3=CC(=C4C5=C(C(=O)OCC5)C(=O)OC4=C23)OC)C
InChI
InChI=1S/C19H16O7/c1-18-5-7-24-19(18,2)26-11-8-10(22-3)12-9-4-6-23-16(20)13(9)17(21)25-15(12)14(11)18/h5,7-8H,4,6H2,1-3H3/t18-,19+/m0/s1
InChIKey
KLZIFULTAZMNEK-RBUKOAKNSA-N
Compound name
(3S,7R)-11-methoxy-3,7-dimethyl-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.0896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09688 174.7
[M+Na]+ 379.07882 188.1
[M+NH4]+ 374.12342 185.4
[M+K]+ 395.05276 183.6
[M-H]- 355.08232 181.6
[M+Na-2H]- 377.06427 176.3
[M]+ 356.08905 179.0
[M]- 356.09015 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.