S-ethyl (3S,4R,5S,6S)-8-[(2S,4R,6S)-4-methoxy-6-methyl-oxan-2-yl]-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-oxidanyl-octanethioate

Systemtic Name: S-ethyl (3S,4R,5S,6S)-8-[(2S,4R,6S)-4-methoxy-6-methyl-oxan-2-yl]-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-oxidanyl-octanethioate Openeye Name: S-ethyl (3S,4R,5S,6S)-3-hydroxy-8-[(2S,4R,6S)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-octanethioate CAS Name: (3S,4R,5S,6S)-3-hydroxy-8-[(2S,4R,6S)-4-methoxy-6-methyl-2-oxanyl]-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyloctanethioic acid S-ethyl ester IUPAC Name: S-ethyl (3S,4R,5S,6S)-3-hydroxy-8-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyloctanethioate Traditional Name: (3S,4R,5S,6S)-3-hydroxy-8-[(2S,4R,6S)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-4,6-dimethyl-5-p-anisyloxy-octanethioic acid S-ethyl ester Formula: C27H44O6S MolecularWeight: 496.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC(C(C)C(C(C)CCC1CC(CC(O1)C)OC)OCC2=CC=C(C=C2)OC)O

Isomeric SMILES

CCSC(=O)C[C@@H]([C@@H](C)[C@H]([C@@H](C)CC[C@H]1C[C@@H](C[C@@H](O1)C)OC)OCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C27H44O6S/c1-7-34-26(29)16-25(28)20(4)27(32-17-21-9-12-22(30-5)13-10-21)18(2)8-11-23-15-24(31-6)14-19(3)33-23/h9-10,12-13,18-20,23-25,27-28H,7-8,11,14-17H2,1-6H3/t18-,19-,20+,23-,24+,25-,27-/m0/s1