(4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-8-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: (4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-8-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: (4aS,10aR)-8-hydroxy-1-(hydroxymethyl)-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: (4aS,10aR)-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: (4aS,10aR)-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: (4aS,10aR)-8-hydroxy-7-isopropyl-1,4a-dimethyl-1-methylol-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3CC2=O)(C)CO)C)O

Isomeric SMILES

CC(C)C1=C(C2=C(C=C1)[C@]3(CCCC([C@@H]3CC2=O)(C)CO)C)O

InChI

InChI=1S/C20H28O3/c1-12(2)13-6-7-14-17(18(13)23)15(22)10-16-19(3,11-21)8-5-9-20(14,16)4/h6-7,12,16,21,23H,5,8-11H2,1-4H3/t16-,19?,20+/m0/s1