(4R,6aR,9aS,9bR)-4-[(Z)-4-[5-(hydroxymethyl)furan-2-yl]-3-pyridin-2-yl-but-3-enyl]-5-methyl-8-(3-nitrophenyl)-2-oxidanyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(Z)-4-[5-(hydroxymethyl)furan-2-yl]-3-pyridin-2-yl-but-3-enyl]-5-methyl-8-(3-nitrophenyl)-2-oxidanyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-[5-(hydroxymethyl)-2-furyl]-3-(2-pyridyl)but-3-enyl]-5-methyl-8-(3-nitrophenyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-[5-(hydroxymethyl)-2-furanyl]-3-(2-pyridinyl)but-3-enyl]-5-methyl-8-(3-nitrophenyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-[5-(hydroxymethyl)furan-2-yl]-3-pyridin-2-ylbut-3-enyl]-5-methyl-8-(3-nitrophenyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-2-hydroxy-5-methyl-4-[(Z)-4-(5-methylol-2-furyl)-3-(2-pyridyl)but-3-enyl]-8-(3-nitrophenyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C31H30BN3O8 MolecularWeight: 583.3962

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC=C(O4)CO)C5=CC=CC=N5)C)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-])O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=CC=C(O4)CO)/C5=CC=CC=N5)C)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-])O

InChI

InChI=1S/C31H30BN3O8/c1-18-13-24-29(31(38)34(30(24)37)20-5-4-6-21(15-20)35(40)41)25-16-32(39)43-27(28(18)25)11-8-19(26-7-2-3-12-33-26)14-22-9-10-23(17-36)42-22/h2-7,9-10,12,14-15,24-25,27,29,36,39H,8,11,13,16-17H2,1H3/b19-14-/t24-,25+,27-,29-/m1/s1