[(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxidanyl-propan-2-yl] (2R,3S)-3-butanoyloxy-2-methyl-2-oxidanyl-butanoate

Systemtic Name: [(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxidanyl-propan-2-yl] (2R,3S)-3-butanoyloxy-2-methyl-2-oxidanyl-butanoate Openeye Name: [(1S,2R)-2-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-ethyl] (2R,3S)-3-butanoyloxy-2-hydroxy-2-methyl-butanoate CAS Name: (2R,3S)-2-hydroxy-2-methyl-3-(1-oxobutoxy)butanoic acid [(1R,2S)-1-hydroxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] ester IUPAC Name: [(1R,2S)-1-hydroxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] (2R,3S)-3-butanoyloxy-2-hydroxy-2-methylbutanoate Traditional Name: (2R,3S)-3-butyryloxy-2-hydroxy-2-methyl-butyric acid [(1S,2R)-2-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-ethyl] ester Formula: C20H28O9 MolecularWeight: 412.43092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(C)(C(=O)OC(C)C(C1=CC2=C(C(=C1)OC)OCO2)O)O

Isomeric SMILES

CCCC(=O)O[C@@H](C)[C@](C)(C(=O)O[C@@H](C)[C@@H](C1=CC2=C(C(=C1)OC)OCO2)O)O

InChI

InChI=1S/C20H28O9/c1-6-7-16(21)29-12(3)20(4,24)19(23)28-11(2)17(22)13-8-14(25-5)18-15(9-13)26-10-27-18/h8-9,11-12,17,22,24H,6-7,10H2,1-5H3/t11-,12-,17-,20+/m0/s1