[3-[(3aS,4R,7aR)-4,6-bis(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,4R,7aR)-4,6-bis(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylene]heptyl]-4,6-bis(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4,6-bis(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4,6-bis(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-propyl-pent-4-enyl]-1,3-diketo-4,6-dimethylol-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]boronic acid Formula: C30H36BNO8 MolecularWeight: 549.41974

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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=C(C=C4)O)CCC)O)CO)(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=C(C=C4)O)/CCC)O)CO)(O)O

InChI

InChI=1S/C30H36BNO8/c1-2-4-18(13-19-7-10-23(35)11-8-19)9-12-26(36)27-20(16-33)14-24-28(25(27)17-34)30(38)32(29(24)37)22-6-3-5-21(15-22)31(39)40/h3,5-8,10-11,13,15,24-26,28,33-36,39-40H,2,4,9,12,14,16-17H2,1H3/b18-13+/t24-,25+,26-,28-/m1/s1