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

Systemtic Name: [(2R,3R,4S,5S,6R)-5-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6S)-5-acetyloxy-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl]oxy-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-3-acetoxy-2-allyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-5-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-3,4-dibenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-5-[[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dibenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4S,5S,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl]oxy]-3,4-dibenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-5-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-dibenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-3,4-dibenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-3-acetoxy-2-allyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-5-[(2R,3S,4S,5R,6R)-3-acetoxy-4,5-dibenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-3,4-dibenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C67H64O24 MolecularWeight: 1253.21066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1OCC=C)CO)O)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC=C)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C

InChI

InChI=1S/C67H64O24/c1-4-35-78-65-56(81-39(2)69)53(50(71)47(36-68)83-65)90-67-58(55(89-64(77)46-33-21-10-22-34-46)52(87-62(75)44-29-17-8-18-30-44)49(85-67)38-80-60(73)42-25-13-6-14-26-42)91-66-57(82-40(3)70)54(88-63(76)45-31-19-9-20-32-45)51(86-61(74)43-27-15-7-16-28-43)48(84-66)37-79-59(72)41-23-11-5-12-24-41/h4-34,47-58,65-68,71H,1,35-38H2,2-3H3/t47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,65+,66-,67-/m1/s1