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]+ 357.096876 173.2
[M+Na]+ 379.078818 186.1
[M-H]- 355.082324 184.2
[M+NH4]+ 374.123423 192.6
[M+K]+ 395.052758 186.8
[M+H-H2O]+ 339.086860 169.4
[M+HCOO]- 401.087801 187.8
[M+CH3COO]- 415.103451 186.8
[M+Na-2H]- 377.064266 180.3
[M]+ 356.08905142 183.0
[M]- 356.09014858 183.0
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.