[(1S,2R,3S,4R,6S)-2-(2,2-dimethylpropanoyloxymethyl)-3-(hydroxymethyl)-3,6-dimethoxy-4-oxidanyl-cyclohexyl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(1S,2R,3S,4R,6S)-2-(2,2-dimethylpropanoyloxymethyl)-3-(hydroxymethyl)-3,6-dimethoxy-4-oxidanyl-cyclohexyl]methyl 2,2-dimethylpropanoate Openeye Name: [(1S,2R,3S,4R,6S)-2-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-3-(hydroxymethyl)-3,6-dimethoxy-cyclohexyl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(1S,2R,3S,4R,6S)-2-[(2,2-dimethyl-1-oxopropoxy)methyl]-4-hydroxy-3-(hydroxymethyl)-3,6-dimethoxycyclohexyl]methyl ester IUPAC Name: [(1S,2R,3S,4R,6S)-2-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-3-(hydroxymethyl)-3,6-dimethoxycyclohexyl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,2R,3S,4R,6S)-4-hydroxy-3,6-dimethoxy-3-methylol-2-(pivaloyloxymethyl)cyclohexyl]methyl ester Formula: C21H38O8 MolecularWeight: 418.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1C(CC(C(C1COC(=O)C(C)(C)C)(CO)OC)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H38O8/c1-19(2,3)17(24)28-10-13-14(11-29-18(25)20(4,5)6)21(12-22,27-8)16(23)9-15(13)26-7/h13-16,22-23H,9-12H2,1-8H3/t13-,14+,15+,16-,21-/m1/s1