[(4S,5S,6R)-4,6-dimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-ynyl] ethanoate

Systemtic Name: [(4S,5S,6R)-4,6-dimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-ynyl] ethanoate Openeye Name: [(4S,5S,6R)-7-benzyloxy-5-hydroxy-4,6-dimethyl-hept-2-ynyl] acetate CAS Name: acetic acid [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] ester IUPAC Name: [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] acetate Traditional Name: acetic acid [(4S,5S,6R)-7-benzoxy-5-hydroxy-4,6-dimethyl-hept-2-ynyl] ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O4/c1-14(8-7-11-22-16(3)19)18(20)15(2)12-21-13-17-9-5-4-6-10-17/h4-6,9-10,14-15,18,20H,11-13H2,1-3H3/t14-,15+,18-/m0/s1