(5S,6S,7R,8S,9S)-5,7,9-trimethyl-8-oxidanyl-6-phenylmethoxy-oxecan-2-one

Systemtic Name: (5S,6S,7R,8S,9S)-5,7,9-trimethyl-8-oxidanyl-6-phenylmethoxy-oxecan-2-one Openeye Name: (5S,6S,7R,8S,9S)-6-benzyloxy-8-hydroxy-5,7,9-trimethyl-oxecan-2-one CAS Name: (5S,6S,7R,8S,9S)-8-hydroxy-5,7,9-trimethyl-6-phenylmethoxy-2-oxecanone IUPAC Name: (5S,6S,7R,8S,9S)-8-hydroxy-5,7,9-trimethyl-6-phenylmethoxyoxecan-2-one Traditional Name: (5S,6S,7R,8S,9S)-6-benzoxy-8-hydroxy-5,7,9-trimethyl-oxecan-2-one Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)OCC(C(C(C1OCC2=CC=CC=C2)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4/c1-13-9-10-17(20)22-11-14(2)18(21)15(3)19(13)23-12-16-7-5-4-6-8-16/h4-8,13-15,18-19,21H,9-12H2,1-3H3/t13-,14-,15+,18-,19-/m0/s1