(1S,4aS,10aR)-1-oxidanyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one

Systemtic Name: (1S,4aS,10aR)-1-oxidanyl-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one Openeye Name: (1S,4aS,10aR)-1-hydroxy-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one CAS Name: (1S,4aS,10aR)-1-hydroxy-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one IUPAC Name: (1S,4aS,10aR)-1-hydroxy-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one Traditional Name: (1S,4aS,10aR)-1-hydroxy-2,4,4a,9,10,10a-hexahydro-1H-phenanthren-3-one Formula: C14H16O2 MolecularWeight: 216.27564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C(CC(=O)C3)O

Isomeric SMILES

C1CC2=CC=CC=C2[C@@H]3[C@@H]1[C@H](CC(=O)C3)O

InChI

InChI=1S/C14H16O2/c15-10-7-13-11-4-2-1-3-9(11)5-6-12(13)14(16)8-10/h1-4,12-14,16H,5-8H2/t12-,13-,14+/m1/s1