[(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C43H42O15 MolecularWeight: 798.78458

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C(CO)O)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C

InChI

InChI=1S/C43H42O15/c1-43(2)57-36-33(31(29(45)23-44)55-42(36)58-43)56-41-35(54-40(49)28-21-13-6-14-22-28)34(53-39(48)27-19-11-5-12-20-27)32(52-38(47)26-17-9-4-10-18-26)30(51-41)24-50-37(46)25-15-7-3-8-16-25/h3-22,29-36,41-42,44-45H,23-24H2,1-2H3/t29-,30-,31+,32+,33+,34+,35-,36-,41+,42-/m1/s1