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

Systemtic Name: [(2R,3R,4S,5R,6S)-6-ethylsulfanyl-4-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3R,4S,5R,6S)-5-benzyloxy-2-(benzyloxymethyl)-6-ethylsulfanyl-4-methoxy-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3R,4S,5R,6S)-6-(ethylthio)-4-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-ethylsulfanyl-4-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4S,5R,6S)-5-benzoxy-2-(benzoxymethyl)-6-(ethylthio)-4-methoxy-tetrahydropyran-3-yl] ester Formula: C28H36O7S MolecularWeight: 516.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)CCC(=O)C)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC(=O)CCC(=O)C)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36O7S/c1-4-36-28-27(33-18-22-13-9-6-10-14-22)26(31-3)25(35-24(30)16-15-20(2)29)23(34-28)19-32-17-21-11-7-5-8-12-21/h5-14,23,25-28H,4,15-19H2,1-3H3/t23-,25-,26+,27-,28+/m1/s1