(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]pentyl]-2-oxidanyl-5-propan-2-yl-8-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]pentyl]-2-oxidanyl-5-propan-2-yl-8-propyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxy-phenyl)methylene]pentyl]-2-hydroxy-5-isopropyl-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-propan-2-yl-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]pentyl]-2-hydroxy-5-propan-2-yl-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-ethyl-but-3-enyl]-2-hydroxy-5-isopropyl-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C28H37BClNO5 MolecularWeight: 513.86108

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=C(C=C(C=C4)O)Cl)CC)C(C)C)C(=O)N(C3=O)CCC)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=C(C=C(C=C4)O)Cl)/CC)C(C)C)C(=O)N(C3=O)CCC)O

InChI

InChI=1S/C28H37BClNO5/c1-5-11-31-27(33)21-14-20(16(3)4)25-22(26(21)28(31)34)15-29(35)36-24(25)10-7-17(6-2)12-18-8-9-19(32)13-23(18)30/h8-9,12-13,16,21-22,24,26,32,35H,5-7,10-11,14-15H2,1-4H3/b17-12+/t21-,22+,24-,26-/m1/s1