[3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-6-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-6-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-(hydroxymethyl)-6-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-phenyl-pent-4-enyl]-1,3-diketo-6-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Formula: C33H34BNO7 MolecularWeight: 567.43656

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N2C(=O)C3CC(=C(C(C3C2=O)CO)C(CCC(=CC4=CC(=CC=C4)O)C5=CC=CC=C5)O)C)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N2C(=O)[C@@H]3CC(=C([C@@H]([C@@H]3C2=O)CO)[C@@H](CC/C(=C/C4=CC(=CC=C4)O)/C5=CC=CC=C5)O)C)(O)O

InChI

InChI=1S/C33H34BNO7/c1-20-15-27-31(33(40)35(32(27)39)25-11-6-10-24(18-25)34(41)42)28(19-36)30(20)29(38)14-13-23(22-8-3-2-4-9-22)16-21-7-5-12-26(37)17-21/h2-12,16-18,27-29,31,36-38,41-42H,13-15,19H2,1H3/b23-16-/t27-,28+,29-,31-/m1/s1