methyl (3aR,5S,6S,7S,7aR)-6,7-diacetyloxy-2-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-pent-4-enoxy-4-phenylmethoxy-oxan-3-yl]oxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate

Systemtic Name: methyl (3aR,5S,6S,7S,7aR)-6,7-diacetyloxy-2-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-pent-4-enoxy-4-phenylmethoxy-oxan-3-yl]oxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate Openeye Name: methyl (3aR,5S,6S,7S,7aR)-6,7-diacetoxy-2-[(2R,3S,4R,5R,6R)-2-(acetoxymethyl)-5-azido-4-benzyloxy-6-pent-4-enoxy-tetrahydropyran-3-yl]oxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate CAS Name: (3aR,5S,6S,7S,7aR)-6,7-diacetyloxy-2-[[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-pent-4-enoxy-4-phenylmethoxy-3-oxanyl]oxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,5S,6S,7S,7aR)-6,7-diacetyloxy-2-[(2R,3S,4R,5R,6R)-2-(acetyloxymethyl)-5-azido-6-pent-4-enoxy-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate Traditional Name: (3aR,5S,6S,7S,7aR)-6,7-diacetoxy-2-[(2R,3S,4R,5R,6R)-2-(acetoxymethyl)-5-azido-4-benzoxy-6-pent-4-enoxy-tetrahydropyran-3-yl]oxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylic acid methyl ester Formula: C33H43N3O15 MolecularWeight: 721.70562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCCCC=C)N=[N+]=[N-])OCC2=CC=CC=C2)OC3(OC4C(C(C(OC4O3)C(=O)OC)OC(=O)C)OC(=O)C)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCCC=C)N=[N+]=[N-])OCC2=CC=CC=C2)OC3(O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O3)C(=O)OC)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C33H43N3O15/c1-7-8-12-15-42-31-23(35-36-34)25(44-16-21-13-10-9-11-14-21)24(22(47-31)17-43-18(2)37)49-33(5)50-29-27(46-20(4)39)26(45-19(3)38)28(30(40)41-6)48-32(29)51-33/h7,9-11,13-14,22-29,31-32H,1,8,12,15-17H2,2-6H3/t22-,23-,24-,25-,26+,27+,28+,29-,31-,32-,33?/m1/s1