[(2R,3R,4S,5R,6S)-4-acetyloxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxy-oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4-acetyloxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxy-oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4S,5R,6S)-4-acetoxy-5-benzyloxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4S,5R,6S)-4-acetyloxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4-acetyloxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4S,5R,6S)-4-acetoxy-5-benzoxy-6-methoxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C21H28O9 MolecularWeight: 424.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(OC(C(C1OC(=O)C)OCC2=CC=CC=C2)OC)CO

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OCC2=CC=CC=C2)OC)CO

InChI

InChI=1S/C21H28O9/c1-13(23)9-10-17(25)30-18-16(11-22)29-21(26-3)20(19(18)28-14(2)24)27-12-15-7-5-4-6-8-15/h4-8,16,18-22H,9-12H2,1-3H3/t16-,18-,19+,20-,21+/m1/s1