[(1S,2S,5R,6S)-6-acetyloxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-5-oxidanyl-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1S,2S,5R,6S)-6-acetyloxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-5-oxidanyl-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1S,2S,5R,6S)-6-acetyloxy-5-hydroxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S,5R,6S)-6-acetyloxy-5-hydroxy-4-(hydroxymethyl)-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1S,2S,5R,6S)-6-acetoxy-5-hydroxy-4-methylol-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-methylol-cyclohex-2-en-1-yl]amino]cyclohex-3-en-1-yl] ester Formula: C18H27NO10 MolecularWeight: 417.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C=C(C(C1OC(=O)C)O)CO)NC2C=C(C(C(C2O)O)O)CO

Isomeric SMILES

CC(=O)O[C@H]1[C@H](C=C([C@H]([C@@H]1OC(=O)C)O)CO)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO

InChI

InChI=1S/C18H27NO10/c1-7(22)28-17-12(4-10(6-21)14(25)18(17)29-8(2)23)19-11-3-9(5-20)13(24)16(27)15(11)26/h3-4,11-21,24-27H,5-6H2,1-2H3/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1