[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexene-1-carboxylate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexene-1-carboxylate Openeye Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4R)-4-hydroxy-2,6,6-trimethyl-cyclohexene-1-carboxylate CAS Name: (4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate Traditional Name: (4R)-4-hydroxy-2,6,6-trimethyl-cyclohexene-1-carboxylic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester Formula: C16H26O8 MolecularWeight: 346.37284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)O)(C)C)C(=O)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C16H26O8/c1-7-4-8(18)5-16(2,3)10(7)14(22)24-15-13(21)12(20)11(19)9(6-17)23-15/h8-9,11-13,15,17-21H,4-6H2,1-3H3/t8-,9-,11-,12+,13-,15+/m1/s1