[(5aR,8aR,9R)-6-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: [(5aR,8aR,9R)-6-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoate Openeye Name: [(5aR,8aR,9R)-6-oxo-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl] (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid [(5aR,8aR,9R)-6-oxo-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl] ester IUPAC Name: [(5aR,8aR,9R)-6-oxo-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl] (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid [(5aR,8aR,9R)-6-keto-4-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl] ester Formula: C36H39NO12 MolecularWeight: 677.69436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2C3COC(=O)C3CC4=C(C5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@@H]2[C@H]3COC(=O)[C@@H]3CC4=C(C5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)O

InChI

InChI=1S/C36H39NO12/c1-36(2,3)49-35(41)37-28(18-10-8-7-9-11-18)29(38)34(40)48-30-21-15-26-32(47-17-46-26)27(20(21)14-22-23(30)16-45-33(22)39)19-12-24(42-4)31(44-6)25(13-19)43-5/h7-13,15,22-23,28-30,38H,14,16-17H2,1-6H3,(H,37,41)/t22-,23+,28+,29-,30+/m1/s1