[(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-2-phenyl-6-prop-2-enoxy-8-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-2-phenyl-6-prop-2-enoxy-8-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-allyloxy-2-phenyl-8-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-2-phenyl-6-prop-2-enoxy-8-[[(2S,3R,4S,5R)-3,4,5-triacetyloxy-2-oxanyl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-2-phenyl-6-prop-2-enoxy-8-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(4aR,6S,7R,8S,8aR)-6-allyloxy-2-phenyl-8-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C61H60O22 MolecularWeight: 1145.1159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C3C(COC(O3)C4=CC=CC=C4)OC(C2OC5C(C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OCC=C

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@@H]([C@@H]2O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OCC=C

InChI

InChI=1S/C61H60O22/c1-5-31-69-59-52(50(47-45(76-59)34-71-58(81-47)42-29-19-10-20-30-42)82-60-51(75-37(4)64)48(74-36(3)63)43(33-72-60)73-35(2)62)83-61-53(80-57(68)41-27-17-9-18-28-41)49(79-56(67)40-25-15-8-16-26-40)46(78-55(66)39-23-13-7-14-24-39)44(77-61)32-70-54(65)38-21-11-6-12-22-38/h5-30,43-53,58-61H,1,31-34H2,2-4H3/t43-,44-,45-,46+,47-,48+,49+,50+,51-,52-,53-,58?,59+,60+,61+/m1/s1