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

Systemtic Name: ethyl 3-[(3aR,5aS,6E,8R,9S,9aS,9bS)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyimino-8,9-bis(oxidanyl)-1,3-bis(oxidanylidene)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindol-2-yl]propanoate Openeye Name: ethyl 3-[(3aR,5aS,6E,8R,9S,9aS,9bS)-8,9-dihydroxy-1,3-dioxo-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]isoindol-2-yl]propanoate CAS Name: 3-[(3aR,5aS,6E,8R,9S,9aS,9bS)-8,9-dihydroxy-1,3-dioxo-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]isoindol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3aR,5aS,6E,8R,9S,9aS,9bS)-8,9-dihydroxy-1,3-dioxo-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]isoindol-2-yl]propanoate Traditional Name: 3-[(3aR,5aS,6E,8R,9S,9aS,9bS)-8,9-dihydroxy-1,3-diketo-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]isoindol-2-yl]propionic acid ethyl ester Formula: C23H34N2O12 MolecularWeight: 530.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2CCC3C(C2C1=O)C(C(CC3=NOC4C(C(C(C(O4)CO)O)O)O)O)O

Isomeric SMILES

CCOC(=O)CCN1C(=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/C23H34N2O12/c1-2-35-14(28)5-6-25-21(33)10-4-3-9-11(7-12(27)17(29)15(9)16(10)22(25)34)24-37-23-20(32)19(31)18(30)13(8-26)36-23/h9-10,12-13,15-20,23,26-27,29-32H,2-8H2,1H3/b24-11+/t9-,10-,12-,13-,15+,16-,17-,18-,19+,20-,23+/m1/s1