[(2R,3R,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-2-[(4-methoxyphenyl)methoxy]-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptan-3-yl] ethanoate Openeye Name: [(1R,2S,3R,4S)-2,3-dibenzyloxy-4-hydroxy-1-[(1R)-1-[(4-methoxyphenyl)methoxy]-2-[(2R,3S,4R,5R,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]ethyl]-5-(p-tolylsulfonyloxy)pentyl] acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-6-hydroxy-2-[(4-methoxyphenyl)methoxy]-7-(4-methylphenyl)sulfonyloxy-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]heptan-3-yl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-hydroxy-2-[(4-methoxyphenyl)methoxy]-7-(4-methylphenyl)sulfonyloxy-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]heptan-3-yl] acetate Traditional Name: acetic acid [(1R,2S,3R,4S)-2,3-dibenzoxy-4-hydroxy-1-[(1R)-1-p-anisyloxy-2-[(2R,3S,4R,5R,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]ethyl]-5-tosyloxy-pentyl] ester Formula: C72H78O15S MolecularWeight: 1215.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(CC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=C(C=C7)OC)OC(=O)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@H]([C@@H]([C@@H]([C@@H](C[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=C(C=C7)OC)OC(=O)C)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O

InChI

InChI=1S/C72H78O15S/c1-52-34-40-62(41-35-52)88(75,76)85-50-63(74)67(80-45-55-24-12-5-13-25-55)71(83-48-58-30-18-8-19-31-58)70(86-53(2)73)64(79-44-60-36-38-61(77-3)39-37-60)42-65-68(81-46-56-26-14-6-15-27-56)72(84-49-59-32-20-9-21-33-59)69(82-47-57-28-16-7-17-29-57)66(87-65)51-78-43-54-22-10-4-11-23-54/h4-41,63-72,74H,42-51H2,1-3H3/t63-,64+,65+,66+,67+,68-,69+,70+,71-,72+/m0/s1