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]+ 345.096876 170.7
[M+Na]+ 367.078818 181.1
[M-H]- 343.082324 179.9
[M+NH4]+ 362.123423 187.8
[M+K]+ 383.052758 182.4
[M+H-H2O]+ 327.086860 167.0
[M+HCOO]- 389.087801 184.0
[M+CH3COO]- 403.103451 183.3
[M+Na-2H]- 365.064266 177.4
[M]+ 344.08905142 179.1
[M]- 344.09014858 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.