[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl] 1H-pyrrole-2-carboxylate Openeye Name: [(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl] ester Formula: C17H21NO9 MolecularWeight: 383.34994

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(=O)C2=CC=CN2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC=CN2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H21NO9/c1-8-13(24-9(2)19)14(25-10(3)20)15(26-11(4)21)17(23-8)27-16(22)12-6-5-7-18-12/h5-8,13-15,17-18H,1-4H3/t8-,13-,14+,15+,17-/m0/s1