methyl (1S,4aS,10aS)-8-methoxy-4a-methyl-2-oxidanylidene-7-propan-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS,10aS)-8-methoxy-4a-methyl-2-oxidanylidene-7-propan-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS,10aS)-7-isopropyl-8-methoxy-4a-methyl-2-oxo-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1S,4aS,10aS)-8-methoxy-4a-methyl-2-oxo-7-propan-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,10aS)-8-methoxy-4a-methyl-2-oxo-7-propan-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aS)-7-isopropyl-2-keto-8-methoxy-4a-methyl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C=C1)C3(CCC(=O)C(C3CC2)C(=O)OC)C)OC

Isomeric SMILES

CC(C)C1=C(C2=C(C=C1)[C@]3(CCC(=O)[C@H]([C@@H]3CC2)C(=O)OC)C)OC

InChI

InChI=1S/C21H28O4/c1-12(2)13-6-8-15-14(19(13)24-4)7-9-16-18(20(23)25-5)17(22)10-11-21(15,16)3/h6,8,12,16,18H,7,9-11H2,1-5H3/t16-,18-,21+/m0/s1