[(2R,3R,4S,5R,6S)-3-hept-6-enoyloxy-4,5-dimethoxy-6-phenylsulfanyl-oxan-2-yl]methyl hept-6-enoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3-hept-6-enoyloxy-4,5-dimethoxy-6-phenylsulfanyl-oxan-2-yl]methyl hept-6-enoate Openeye Name: [(2R,3R,4S,5R,6S)-3-hept-6-enoyloxy-4,5-dimethoxy-6-phenylsulfanyl-tetrahydropyran-2-yl]methyl hept-6-enoate CAS Name: 6-heptenoic acid [(2R,3R,4S,5R,6S)-4,5-dimethoxy-3-(1-oxohept-6-enoxy)-6-(phenylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3-hept-6-enoyloxy-4,5-dimethoxy-6-phenylsulfanyloxan-2-yl]methyl hept-6-enoate Traditional Name: hept-6-enoic acid [(2R,3R,4S,5R,6S)-3-hept-6-enoyloxy-4,5-dimethoxy-6-(phenylthio)tetrahydropyran-2-yl]methyl ester Formula: C28H40O7S MolecularWeight: 520.678

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1OC)SC2=CC=CC=C2)COC(=O)CCCCC=C)OC(=O)CCCCC=C

Isomeric SMILES

CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)SC2=CC=CC=C2)COC(=O)CCCCC=C)OC(=O)CCCCC=C

InChI

InChI=1S/C28H40O7S/c1-5-7-9-14-18-23(29)33-20-22-25(35-24(30)19-15-10-8-6-2)26(31-3)27(32-4)28(34-22)36-21-16-12-11-13-17-21/h5-6,11-13,16-17,22,25-28H,1-2,7-10,14-15,18-20H2,3-4H3/t22-,25-,26+,27-,28+/m1/s1