5'-(FURAN-3-YL)-8-HYDROXY-7-METHYL-3,5,5A,7,8,8A-HEXAHYDROSPIRO[NAPHTHO[1,8-BC]FURAN-6,3'-OXOLANE]-2,2'(4H)-DIONE (TEUCRIN A)

/static/temp/default.svg Search structure
Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID50926049

Structure

InChI Key AONLJCCUYGGOSW-PJERILTQSA-N
Smiles C[C@@H]1[C@@H]([C@H]2C3=C(CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2)O
InChI
InChI=1S/C19H20O6/c1-9-15(20)16-14-11(17(21)25-16)3-2-4-12(14)19(9)7-13(24-18(19)22)10-5-6-23-8-10/h5-6,8-9,12-13,15-16,20H,2-4,7H2,1H3/t9-,12+,13+,15+,16-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20O6
Molecular Weight 344.13
AlogP 2.29
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 85.97
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 12798-51-5
NORMAN SUSDAT
PubChem 159529
ChemSpider 140277.0
CONTENTS