methyl (2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxylate

Systemtic Name: methyl (2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxylate Openeye Name: methyl (2S,3R,4S)-4-[(2-methyl-9H-pyrido[3,4-b]indol-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)-3-ethenyl-4-[(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-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)-3-ethenyl-4-[(2-methyl-9H-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-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-[(2-methyl-9H-$b-carbolin-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: C28H33N2O9+ MolecularWeight: 541.56962

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)CC4C(C(OC=C4C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O)C=C

Isomeric SMILES

C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C[C@H]4[C@H]([C@@H](OC=C4C(=O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C

InChI

InChI=1S/C28H32N2O9/c1-4-14-17(11-20-22-16(9-10-30(20)2)15-7-5-6-8-19(15)29-22)18(26(35)36-3)13-37-27(14)39-28-25(34)24(33)23(32)21(12-31)38-28/h4-10,13-14,17,21,23-25,27-28,31-34H,1,11-12H2,2-3H3/p+1/t14-,17+,21-,23-,24+,25-,27+,28+/m1/s1