methyl (4bR,8aS,9S)-1-bromanyl-3-methoxy-4-oxidanyl-6-oxidanylidene-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylate

Systemtic Name: methyl (4bR,8aS,9S)-1-bromanyl-3-methoxy-4-oxidanyl-6-oxidanylidene-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylate Openeye Name: methyl (4bR,8aS,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylate CAS Name: (4bR,8aS,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylic acid methyl ester IUPAC Name: methyl (4bR,8aS,9S)-1-bromo-4-hydroxy-3-methoxy-6-oxo-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylate Traditional Name: (4bR,8aS,9S)-1-bromo-4-hydroxy-6-keto-3-methoxy-5,7,8,8a,9,10-hexahydro-4bH-phenanthrene-9-carboxylic acid methyl ester Formula: C17H19BrO5 MolecularWeight: 383.23376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC(C3CCC(=O)CC3C2=C1O)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C2C[C@@H]([C@H]3CCC(=O)C[C@H]3C2=C1O)C(=O)OC)Br

InChI

InChI=1S/C17H19BrO5/c1-22-14-7-13(18)12-6-11(17(21)23-2)9-4-3-8(19)5-10(9)15(12)16(14)20/h7,9-11,20H,3-6H2,1-2H3/t9-,10+,11-/m0/s1