methyl (1S,3S,4R,5R)-3-butanoyloxy-4-methyl-5-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,3S,4R,5R)-3-butanoyloxy-4-methyl-5-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,3S,4R,5R)-3-butanoyloxy-5-hydroxy-4-methyl-cyclohexanecarboxylate CAS Name: (1S,3R,4R,5S)-3-hydroxy-4-methyl-5-(1-oxobutoxy)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4R,5R)-3-butanoyloxy-5-hydroxy-4-methylcyclohexane-1-carboxylate Traditional Name: (1S,3S,4R,5R)-3-butyryloxy-5-hydroxy-4-methyl-cyclohexanecarboxylic acid methyl ester Formula: C13H22O5 MolecularWeight: 258.31078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(CC(C1C)O)C(=O)OC

Isomeric SMILES

CCCC(=O)O[C@H]1C[C@H](C[C@H]([C@H]1C)O)C(=O)OC

InChI

InChI=1S/C13H22O5/c1-4-5-12(15)18-11-7-9(13(16)17-3)6-10(14)8(11)2/h8-11,14H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1