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

Systemtic Name: ethyl (1S,4aS,10aS)-8-methoxy-4a-methyl-2-oxidanylidene-7-propan-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC3=C(C2(CCC1=O)C)C=CC(=C3OC)C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C=CC(=C3OC)C(C)C

InChI

InChI=1S/C22H30O4/c1-6-26-21(24)19-17-10-8-15-16(22(17,4)12-11-18(19)23)9-7-14(13(2)3)20(15)25-5/h7,9,13,17,19H,6,8,10-12H2,1-5H3/t17-,19-,22+/m0/s1