2-[(2R,3R,4S)-4,5-dimethoxy-6-(3-methylbutyl)-3-phenylmethoxy-oxan-2-yl]oxyethanoic acid

Systemtic Name: 2-[(2R,3R,4S)-4,5-dimethoxy-6-(3-methylbutyl)-3-phenylmethoxy-oxan-2-yl]oxyethanoic acid Openeye Name: 2-[(2R,3R,4S)-3-benzyloxy-6-isopentyl-4,5-dimethoxy-tetrahydropyran-2-yl]oxyacetic acid CAS Name: 2-[[(2R,3R,4S)-4,5-dimethoxy-6-(3-methylbutyl)-3-phenylmethoxy-2-oxanyl]oxy]acetic acid IUPAC Name: 2-[(2R,3R,4S)-4,5-dimethoxy-6-(3-methylbutyl)-3-phenylmethoxyoxan-2-yl]oxyacetic acid Traditional Name: 2-[(2R,3R,4S)-3-benzoxy-6-isoamyl-4,5-dimethoxy-tetrahydropyran-2-yl]oxyacetic acid Formula: C21H32O7 MolecularWeight: 396.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(C(C(C(O1)OCC(=O)O)OCC2=CC=CC=C2)OC)OC

Isomeric SMILES

CC(C)CCC1C([C@@H]([C@H]([C@@H](O1)OCC(=O)O)OCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C21H32O7/c1-14(2)10-11-16-18(24-3)19(25-4)20(21(28-16)27-13-17(22)23)26-12-15-8-6-5-7-9-15/h5-9,14,16,18-21H,10-13H2,1-4H3,(H,22,23)/t16?,18?,19-,20+,21+/m0/s1