(4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione

Systemtic Name: (4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione Openeye Name: (4aS)-7-isopropyl-6-methoxy-1,1,4a-trimethyl-10,10a-dihydro-9H-phenanthrene-2,4-dione CAS Name: (4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione IUPAC Name: (4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-2,4-dione Traditional Name: (4aS)-7-isopropyl-6-methoxy-1,1,4a-trimethyl-10,10a-dihydro-9H-phenanthrene-2,4-quinone Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)CCC3C2(C(=O)CC(=O)C3(C)C)C)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)CCC3[C@@]2(C(=O)CC(=O)C3(C)C)C)OC

InChI

InChI=1S/C21H28O3/c1-12(2)14-9-13-7-8-17-20(3,4)18(22)11-19(23)21(17,5)15(13)10-16(14)24-6/h9-10,12,17H,7-8,11H2,1-6H3/t17?,21-/m1/s1