methyl (3R,5R)-1,3,5-tris(oxidanyl)-4-(3-phenylpropanoyloxy)cyclohexane-1-carboxylate

Systemtic Name: methyl (3R,5R)-1,3,5-tris(oxidanyl)-4-(3-phenylpropanoyloxy)cyclohexane-1-carboxylate Openeye Name: methyl (3R,5R)-1,3,5-trihydroxy-4-(3-phenylpropanoyloxy)cyclohexanecarboxylate CAS Name: (3R,5R)-1,3,5-trihydroxy-4-(1-oxo-3-phenylpropoxy)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3R,5R)-1,3,5-trihydroxy-4-(3-phenylpropanoyloxy)cyclohexane-1-carboxylate Traditional Name: (3R,5R)-4-hydrocinnamoyloxy-1,3,5-trihydroxy-cyclohexanecarboxylic acid methyl ester Formula: C17H22O7 MolecularWeight: 338.35238

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22O7/c1-23-16(21)17(22)9-12(18)15(13(19)10-17)24-14(20)8-7-11-5-3-2-4-6-11/h2-6,12-13,15,18-19,22H,7-10H2,1H3/t12-,13-,15?,17?/m1/s1