CID 44257491

Lathycarpin

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C=C2C(=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O)OC
InChI
InChI=1S/C18H16O7/c1-20-13-3-9-11(5-14(13)21-2)22-7-18(19)10-4-15-16(24-8-23-15)6-12(10)25-17(9)18/h3-6,17,19H,7-8H2,1-2H3
InChIKey
OPUNZSMLSXSMJN-UHFFFAOYSA-N
Compound name
15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

344.0896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 170.7
[M+Na]+ 367.07882 181.1
[M-H]- 343.08232 179.9
[M+NH4]+ 362.12342 187.8
[M+K]+ 383.05276 182.4
[M+H-H2O]+ 327.08686 167.0
[M+HCOO]- 389.08780 184.0
[M+CH3COO]- 403.10345 183.3
[M+Na-2H]- 365.06427 177.4
[M]+ 344.08905 179.1
[M]- 344.09015 179.1
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.