[(2R,3R,4R,5R,6S)-6-methoxy-4,5-bis(phenylcarbonyloxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]selanyl-oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R,6S)-6-methoxy-4,5-bis(phenylcarbonyloxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]selanyl-oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydrothiopyran-2-yl]selanyl-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-6-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-thianyl]seleno]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]selanyloxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R,6S)-4,5-dibenzoyloxy-6-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydrothiopyran-2-yl]seleno]tetrahydropyran-2-yl]methyl ester Formula: C42H44O16SSe MolecularWeight: 915.81416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(S1)[Se]C2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC)COC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](S1)[Se][C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC)COC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C42H44O16SSe/c1-23(43)51-22-31-32(53-24(2)44)33(54-25(3)45)36(55-26(4)46)42(59-31)60-37-30(21-52-38(47)27-15-9-6-10-16-27)56-41(50-5)35(58-40(49)29-19-13-8-14-20-29)34(37)57-39(48)28-17-11-7-12-18-28/h6-20,30-37,41-42H,21-22H2,1-5H3/t30-,31-,32-,33+,34-,35-,36-,37-,41+,42+/m1/s1