ethyl (8aR,9S)-4-acetyloxy-1-bromanyl-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate

Systemtic Name: ethyl (8aR,9S)-4-acetyloxy-1-bromanyl-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Openeye Name: ethyl (8aR,9S)-4-acetoxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate CAS Name: (8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid ethyl ester IUPAC Name: ethyl (8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylate Traditional Name: (8aR,9S)-4-acetoxy-1-bromo-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid ethyl ester Formula: C20H21BrO6 MolecularWeight: 437.28114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(C=C(C(=C2C3=CC(=O)CCC13)OC(=O)C)OC)Br

Isomeric SMILES

CCOC(=O)[C@H]1CC2=C(C=C(C(=C2C3=CC(=O)CC[C@H]13)OC(=O)C)OC)Br

InChI

InChI=1S/C20H21BrO6/c1-4-26-20(24)14-8-15-16(21)9-17(25-3)19(27-10(2)22)18(15)13-7-11(23)5-6-12(13)14/h7,9,12,14H,4-6,8H2,1-3H3/t12-,14-/m0/s1