(4aS,10aS)-6-methoxy-1,1,4a-trimethyl-5-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: (4aS,10aS)-6-methoxy-1,1,4a-trimethyl-5-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: (4aS,10aS)-5-hydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: (4aS,10aS)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: (4aS,10aS)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: (4aS,10aS)-5-hydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C21H30O3 MolecularWeight: 330.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O)OC

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O)OC

InChI

InChI=1S/C21H30O3/c1-12(2)13-10-14-15(22)11-16-20(3,4)8-7-9-21(16,5)17(14)18(23)19(13)24-6/h10,12,16,23H,7-9,11H2,1-6H3/t16-,21-/m0/s1