(2S,3S,4R,5R,6R)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol

Systemtic Name: (2S,3S,4R,5R,6R)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol Openeye Name: (2S,3S,4R,5R,6R)-4,5-dibenzyloxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzyloxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzyloxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzyloxy-2-methyl-6-methylsulfanyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-ol CAS Name: (2S,3S,4R,5R,6R)-2-methyl-6-[[(2S,3S,4R,5R,6S)-2-methyl-6-[[(2S,3S,4R,5R,6S)-2-methyl-6-[[(2S,3S,4R,5R,6S)-2-methyl-6-(methylthio)-4,5-bis(phenylmethoxy)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-3-oxanol IUPAC Name: (2S,3S,4R,5R,6R)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol Traditional Name: (2S,3S,4R,5R,6R)-4,5-dibenzoxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzoxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzoxy-6-[(2S,3S,4R,5R,6S)-4,5-dibenzoxy-2-methyl-6-(methylthio)tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-yl]oxy-2-methyl-tetrahydropyran-3-ol Formula: C81H92O16S MolecularWeight: 1353.65258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC5C(OC(C(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC8C(OC(C(C8OCC9=CC=CC=C9)OCC1=CC=CC=C1)SC)C)C)C)OCC1=CC=CC=C1)OCC1=CC=CC=C1)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H](O[C@H]([C@@H]([C@@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7)O[C@H]8[C@@H](O[C@H]([C@@H]([C@@H]8OCC9=CC=CC=C9)OCC1=CC=CC=C1)SC)C)C)C)OCC1=CC=CC=C1)OCC1=CC=CC=C1)O

InChI

InChI=1S/C81H92O16S/c1-54-66(82)70(83-46-58-30-14-6-15-31-58)74(87-50-62-38-22-10-23-39-62)78(91-54)95-67-55(2)92-79(75(88-51-63-40-24-11-25-41-63)71(67)84-47-59-32-16-7-17-33-59)96-68-56(3)93-80(76(89-52-64-42-26-12-27-43-64)72(68)85-48-60-34-18-8-19-35-60)97-69-57(4)94-81(98-5)77(90-53-65-44-28-13-29-45-65)73(69)86-49-61-36-20-9-21-37-61/h6-45,54-57,66-82H,46-53H2,1-5H3/t54-,55-,56-,57-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-/m0/s1