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

Systemtic Name: (phenylmethyl) 2-[[(5S,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-3-phenyl-propanoate CAS Name: 2-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-3-phenylpropanoate Traditional Name: 2-[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-3-phenyl-propionic acid benzyl ester Formula: C37H35NO9 MolecularWeight: 637.6751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C37H35NO9/c1-42-30-14-23(15-31(43-2)35(30)39)32-24-16-28-29(47-20-46-28)17-25(24)34(26-19-45-37(41)33(26)32)38-27(13-21-9-5-3-6-10-21)36(40)44-18-22-11-7-4-8-12-22/h3-12,14-17,26-27,32-34,38-39H,13,18-20H2,1-2H3/t26?,27?,32-,33+,34-/m1/s1