(3aS)-8-methoxy-7-oxidanyl-2,3,3a,4,5,6-hexahydrophenalen-1-one

Systemtic Name: (3aS)-8-methoxy-7-oxidanyl-2,3,3a,4,5,6-hexahydrophenalen-1-one Openeye Name: (3aS)-7-hydroxy-8-methoxy-2,3,3a,4,5,6-hexahydrophenalen-1-one CAS Name: (3aS)-7-hydroxy-8-methoxy-2,3,3a,4,5,6-hexahydrophenalen-1-one IUPAC Name: (3aS)-7-hydroxy-8-methoxy-2,3,3a,4,5,6-hexahydrophenalen-1-one Traditional Name: (3aS)-7-hydroxy-8-methoxy-2,3,3a,4,5,6-hexahydrophenalen-1-one Formula: C14H16O3 MolecularWeight: 232.27504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C3C(CCC2)CCC(=O)C3=C1)O

Isomeric SMILES

COC1=C(C2=C3[C@@H](CCC2)CCC(=O)C3=C1)O

InChI

InChI=1S/C14H16O3/c1-17-12-7-10-11(15)6-5-8-3-2-4-9(13(8)10)14(12)16/h7-8,16H,2-6H2,1H3/t8-/m0/s1