methyl (2S,3R,4S)-4-[[(1S)-6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Systemtic Name: methyl (2S,3R,4S)-4-[[(1S)-6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Openeye Name: methyl (2S,3R,4S)-4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate CAS Name: (2S,3R,4S)-4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-ethenyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Traditional Name: (2S,3R,4S)-4-[[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester Formula: C25H34NO11+ MolecularWeight: 524.53756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=COC(C(C1CC2C3=CC(=C(C=C3CC[NH2+]2)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=CC(=C(C=C3CC[NH2+]2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1