dimethyl (1R,3S,4R,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(2-methoxyethoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylate

Systemtic Name: dimethyl (1R,3S,4R,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(2-methoxyethoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylate Openeye Name: dimethyl (1R,3S,4R,5R,6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-3-(tert-butoxycarbonylamino)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(2-methoxyethoxymethoxy)-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylate CAS Name: (1R,3S,4R,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyl-1-oxooct-2-enoxy]-4,7-bis(2-methoxyethoxymethoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,3S,4R,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(2-methoxyethoxymethoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylate Traditional Name: (1R,3S,4R,5R,6R,7R)-1-[3-[(1S,2R)-1-acetoxy-2-methyl-3-phenyl-propyl]but-3-enyl]-3-(tert-butoxycarbonylamino)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(2-methoxyethoxymethoxy)-2,8-dioxabicyclo[3.2.1]octane-4,5-dicarboxylic acid dimethyl ester Formula: C49H75NO18 MolecularWeight: 966.1157

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC)(C(=O)OC)OCOCCOC)NC(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OCOCCOC

Isomeric SMILES

CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC)(C(=O)OC)OCOCCOC)NC(=O)OC(C)(C)C)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)OCOCCOC

InChI

InChI=1S/C49H75NO18/c1-14-32(2)28-33(3)20-21-38(52)65-41-40(62-30-60-26-24-56-10)47(23-22-34(4)39(64-36(6)51)35(5)29-37-18-16-15-17-19-37)66-42(50-45(55)67-46(7,8)9)49(44(54)59-13,63-31-61-27-25-57-11)48(41,68-47)43(53)58-12/h15-21,32-33,35,39-42H,4,14,22-31H2,1-3,5-13H3,(H,50,55)/b21-20+/t32-,33+,35+,39+,40+,41+,42-,47-,48-,49+/m0/s1