[3-[(4R,6aR,9aS,9bR)-4-[(Z)-4-(2-hydroxyphenyl)-3-phenyl-but-3-enyl]-5-(methoxymethyl)-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid

Systemtic Name: [3-[(4R,6aR,9aS,9bR)-4-[(Z)-4-(2-hydroxyphenyl)-3-phenyl-but-3-enyl]-5-(methoxymethyl)-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid Openeye Name: [3-[(4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(2-hydroxyphenyl)-3-phenyl-but-3-enyl]-5-(methoxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid CAS Name: [3-[(4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(2-hydroxyphenyl)-3-phenylbut-3-enyl]-5-(methoxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindol-8-yl]phenyl]boronic acid IUPAC Name: [3-[(4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(2-hydroxyphenyl)-3-phenylbut-3-enyl]-5-(methoxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]phenyl]boronic acid Traditional Name: [3-[(4R,6aR,9aS,9bR)-2-hydroxy-4-[(Z)-4-(2-hydroxyphenyl)-3-phenyl-but-3-enyl]-7,9-diketo-5-(methoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindol-8-yl]phenyl]boronic acid Formula: C34H35B2NO8 MolecularWeight: 607.2656

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC=CC=C4O)C5=CC=CC=C5)COC)C(=O)N(C3=O)C6=CC=CC(=C6)B(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=CC=C4O)/C5=CC=CC=C5)COC)C(=O)N(C3=O)C6=CC=CC(=C6)B(O)O)O

InChI

InChI=1S/C34H35B2NO8/c1-44-20-24-17-27-32(34(40)37(33(27)39)26-12-7-11-25(18-26)36(42)43)28-19-35(41)45-30(31(24)28)15-14-22(21-8-3-2-4-9-21)16-23-10-5-6-13-29(23)38/h2-13,16,18,27-28,30,32,38,41-43H,14-15,17,19-20H2,1H3/b22-16-/t27-,28+,30-,32-/m1/s1