[(3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-2-yl]methoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-4-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-3-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-2-yl]methoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-allyloxy-5-benzoyloxy-3-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-4,5-dibenzoyloxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6S)-5-benzoyloxy-3-hydroxy-6-prop-2-enoxy-4-[[(2S,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methoxy]-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6S)-5-benzoyloxy-3-hydroxy-6-prop-2-enoxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-allyloxy-5-benzoyloxy-3-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzoyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-4,5-dibenzoyloxy-tetrahydropyran-3-yl] ester Formula: C69H62O21 MolecularWeight: 1227.21798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C3=CC=CC=C3)OCC=C)COC4C(C(C(CO4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C3=CC=CC=C3)OCC=C)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C69H62O21/c1-3-39-78-68-58(88-65(76)48-35-21-9-22-36-48)55(90-69-59(89-66(77)49-37-23-10-24-38-49)56(86-63(74)46-31-17-7-18-32-46)53(42(2)81-69)84-61(72)44-27-13-5-14-28-44)52(70)50(83-68)40-79-67-57(87-64(75)47-33-19-8-20-34-47)54(85-62(73)45-29-15-6-16-30-45)51(41-80-67)82-60(71)43-25-11-4-12-26-43/h3-38,42,50-59,67-70H,1,39-41H2,2H3/t42-,50+,51+,52+,53-,54-,55-,56+,57+,58+,59+,67+,68-,69-/m0/s1