[(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-2,2-dimethyl-7-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-2,2-dimethyl-6-(phenylcarbonyloxy)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate

Systemtic Name: [(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-2,2-dimethyl-7-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-2,2-dimethyl-6-(phenylcarbonyloxy)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate Openeye Name: [(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-7-benzoyloxy-4-(benzoyloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-7-benzoyloxy-4-(benzoyloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl ester IUPAC Name: [(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-7-benzoyloxy-4-(benzoyloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4R,6R,7R,7aS)-7-[[(3aS,4R,6S,7R,7aS)-7-benzoyloxy-4-(benzoyloxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl ester Formula: C46H46O15 MolecularWeight: 838.84844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C(C2O1)OC3C(C4C(C(O3)COC(=O)C5=CC=CC=C5)OC(O4)(C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)COC(=O)C8=CC=CC=C8)C

Isomeric SMILES

CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O[C@H]3[C@@H]([C@@H]4[C@H]([C@H](O3)COC(=O)C5=CC=CC=C5)OC(O4)(C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)COC(=O)C8=CC=CC=C8)C

InChI

InChI=1S/C46H46O15/c1-45(2)58-33-31(25-51-39(47)27-17-9-5-10-18-27)53-43(37(35(33)60-45)55-41(49)29-21-13-7-14-22-29)56-38-36-34(59-46(3,4)61-36)32(26-52-40(48)28-19-11-6-12-20-28)54-44(38)57-42(50)30-23-15-8-16-24-30/h5-24,31-38,43-44H,25-26H2,1-4H3/t31-,32-,33+,34+,35+,36+,37-,38-,43+,44-/m1/s1