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

Systemtic Name: (8aR,9S)-4-acetyloxy-1-bromanyl-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Openeye Name: (8aR,9S)-4-acetoxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid CAS Name: (8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid IUPAC Name: (8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Traditional Name: (8aR,9S)-4-acetoxy-1-bromo-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthrene-9-carboxylic acid Formula: C18H17BrO6 MolecularWeight: 409.22798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(=C(C=C1OC)Br)CC(C3C2=CC(=O)CC3)C(=O)O

Isomeric SMILES

CC(=O)OC1=C2C(=C(C=C1OC)Br)C[C@@H]([C@@H]3C2=CC(=O)CC3)C(=O)O

InChI

InChI=1S/C18H17BrO6/c1-8(20)25-17-15(24-2)7-14(19)13-6-12(18(22)23)10-4-3-9(21)5-11(10)16(13)17/h5,7,10,12H,3-4,6H2,1-2H3,(H,22,23)/t10-,12-/m0/s1