methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]pentyl]-5-(hydroxymethyl)-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate

Systemtic Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoranyl-4-oxidanyl-phenyl)methylidene]pentyl]-5-(hydroxymethyl)-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-8-carboxylate Openeye Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxy-phenyl)methylene]pentyl]-2-hydroxy-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-8-carboxylic acid methyl ester IUPAC Name: methyl (4R,6aR,9aS,9bR)-4-[(3E)-3-[(3-fluoro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-(hydroxymethyl)-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-8-carboxylate Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-3-ethyl-4-(3-fluoro-4-hydroxy-phenyl)but-3-enyl]-2-hydroxy-7,9-diketo-5-methylol-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-8-carboxylic acid methyl ester Formula: C25H29BFNO8 MolecularWeight: 501.309063

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=CC(=C(C=C4)O)F)CC)CO)C(=O)N(C3=O)C(=O)OC)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=CC(=C(C=C4)O)F)/CC)CO)C(=O)N(C3=O)C(=O)OC)O

InChI

InChI=1S/C25H29BFNO8/c1-3-13(8-14-4-6-19(30)18(27)9-14)5-7-20-21-15(12-29)10-16-22(17(21)11-26(34)36-20)24(32)28(23(16)31)25(33)35-2/h4,6,8-9,16-17,20,22,29-30,34H,3,5,7,10-12H2,1-2H3/b13-8+/t16-,17+,20-,22-/m1/s1