ethyl (2S,3R,4S,6R)-4,6-dimethyl-2,3-bis(oxidanyl)-7-phenylmethoxy-heptanoate

Systemtic Name: ethyl (2S,3R,4S,6R)-4,6-dimethyl-2,3-bis(oxidanyl)-7-phenylmethoxy-heptanoate Openeye Name: ethyl (2S,3R,4S,6R)-7-benzyloxy-2,3-dihydroxy-4,6-dimethyl-heptanoate CAS Name: (2S,3R,4S,6R)-2,3-dihydroxy-4,6-dimethyl-7-phenylmethoxyheptanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S,6R)-2,3-dihydroxy-4,6-dimethyl-7-phenylmethoxyheptanoate Traditional Name: (2S,3R,4S,6R)-7-benzoxy-2,3-dihydroxy-4,6-dimethyl-enanthic acid ethyl ester Formula: C18H28O5 MolecularWeight: 324.41192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)CC(C)COCC1=CC=CC=C1)O)O

Isomeric SMILES

CCOC(=O)[C@H]([C@@H]([C@@H](C)C[C@@H](C)COCC1=CC=CC=C1)O)O

InChI

InChI=1S/C18H28O5/c1-4-23-18(21)17(20)16(19)14(3)10-13(2)11-22-12-15-8-6-5-7-9-15/h5-9,13-14,16-17,19-20H,4,10-12H2,1-3H3/t13-,14+,16-,17+/m1/s1