(phenylmethyl) (3aS,4R,6S,7S,7aR)-6-[(S)-[(1R,2R,4R,5R,6S)-2-methoxycarbonyl-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate

Systemtic Name: (phenylmethyl) (3aS,4R,6S,7S,7aR)-6-[(S)-[(1R,2R,4R,5R,6S)-2-methoxycarbonyl-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate Openeye Name: benzyl (3aS,4R,6S,7S,7aR)-7-benzyloxy-6-[(S)-[(1R,2R,4R,5R,6S)-2-methoxycarbonyl-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate CAS Name: (3aS,4R,6S,7S,7aR)-6-[(S)-[(1R,2R,4R,5R,6S)-2-methoxycarbonyl-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aS,4R,6S,7S,7aR)-6-[(S)-[(1R,2R,4R,5R,6S)-2-methoxycarbonyl-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate Traditional Name: (3aS,4R,6S,7S,7aR)-7-benzoxy-6-[(S)-[(1R,2R,4R,5R,6S)-2-carbomethoxy-5-(methoxymethoxy)-3,7-dioxabicyclo[2.2.1]heptan-6-yl]-(methoxymethoxy)methyl]-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylic acid benzyl ester Formula: C36H47NO13 MolecularWeight: 701.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(C(N1C(=O)OCC3=CC=CC=C3)C(C4C5C(OC(C4OCOC)O5)C(=O)OC)OCOC)OCC6=CC=CC=C6)OC(O2)(C)C

Isomeric SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](N1C(=O)OCC3=CC=CC=C3)[C@H]([C@H]4[C@@H]5[C@@H](O[C@H]([C@@H]4OCOC)O5)C(=O)OC)OCOC)OCC6=CC=CC=C6)OC(O2)(C)C

InChI

InChI=1S/C36H47NO13/c1-21-26-31(50-36(2,3)49-26)30(43-17-22-13-9-7-10-14-22)25(37(21)35(39)44-18-23-15-11-8-12-16-23)27(45-19-40-4)24-28-32(33(38)42-6)48-34(47-28)29(24)46-20-41-5/h7-16,21,24-32,34H,17-20H2,1-6H3/t21-,24+,25+,26+,27+,28-,29-,30+,31+,32-,34-/m1/s1