methyl (3R,4S,5R)-3,5-bis(oxidanyl)-4-(3-phenylpropanoyloxy)cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-3,5-bis(oxidanyl)-4-(3-phenylpropanoyloxy)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-(3-phenylpropanoyloxy)cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-3,5-dihydroxy-4-(1-oxo-3-phenylpropoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-(3-phenylpropanoyloxy)cyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4-hydrocinnamoyloxy-3,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C(C1)O)OC(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)OC(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C17H20O6/c1-22-17(21)12-9-13(18)16(14(19)10-12)23-15(20)8-7-11-5-3-2-4-6-11/h2-6,9,13-14,16,18-19H,7-8,10H2,1H3/t13-,14-,16-/m1/s1