(3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyimino-8,9-bis(oxidanyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione

Systemtic Name: (3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyimino-8,9-bis(oxidanyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione Openeye Name: (3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-8,9-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione CAS Name: (3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-8,9-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxyimino]-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione IUPAC Name: (3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-8,9-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione Traditional Name: (3aR,5aR,6E,8R,9S,9aS,9bS)-2-tert-butyl-8,9-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oximino-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benz[e]isoindole-1,3-quinone Formula: C22H34N2O10 MolecularWeight: 486.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2CCC3C(C2C1=O)C(C(CC3=NOC4C(C(C(C(O4)CO)O)O)O)O)O

Isomeric SMILES

CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N\O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

InChI

InChI=1S/C22H34N2O10/c1-22(2,3)24-19(31)9-5-4-8-10(6-11(26)15(27)13(8)14(9)20(24)32)23-34-21-18(30)17(29)16(28)12(7-25)33-21/h8-9,11-18,21,25-30H,4-7H2,1-3H3/b23-10+/t8-,9+,11+,12+,13-,14+,15+,16+,17-,18+,21-/m0/s1