[(2R,4S,5R,6S)-3-(9-butyl-3-methanoyl-pyrido[3,4-b]indol-1-yl)oxy-2-(hydroxymethyl)-5,6-bis(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [(2R,4S,5R,6S)-3-(9-butyl-3-methanoyl-pyrido[3,4-b]indol-1-yl)oxy-2-(hydroxymethyl)-5,6-bis(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,3R,4S,6R)-2,3-dibenzoyloxy-5-(9-butyl-3-formyl-pyrido[3,4-b]indol-1-yl)oxy-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,6R)-2,3-dibenzoyloxy-5-[(9-butyl-3-formyl-1-pyrido[3,4-b]indolyl)oxy]-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2,3-dibenzoyloxy-5-(9-butyl-3-formylpyrido[3,4-b]indol-1-yl)oxy-6-(hydroxymethyl)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,6R)-2,3-dibenzoyloxy-5-[(9-butyl-3-formyl-$b-carbolin-1-yl)oxy]-6-methylol-tetrahydropyran-4-yl] ester Formula: C43H38N2O10 MolecularWeight: 742.76922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)OC4C(OC(C(C4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)CO)C=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)OC4[C@H](O[C@H]([C@@H]([C@H]4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)CO)C=O

InChI

InChI=1S/C43H38N2O10/c1-2-3-23-45-33-22-14-13-21-31(33)32-24-30(25-46)44-39(35(32)45)52-36-34(26-47)51-43(55-42(50)29-19-11-6-12-20-29)38(54-41(49)28-17-9-5-10-18-28)37(36)53-40(48)27-15-7-4-8-16-27/h4-22,24-25,34,36-38,43,47H,2-3,23,26H2,1H3/t34-,36?,37+,38-,43+/m1/s1