(2S,3S,4S,5S)-3-acetyloxy-2,4-dimethyl-7-oxidanyl-5-(phenylcarbonyloxy)heptanoic acid

Systemtic Name: (2S,3S,4S,5S)-3-acetyloxy-2,4-dimethyl-7-oxidanyl-5-(phenylcarbonyloxy)heptanoic acid Openeye Name: (2S,3S,4S,5S)-3-acetoxy-5-benzoyloxy-7-hydroxy-2,4-dimethyl-heptanoic acid CAS Name: (2S,3S,4S,5S)-3-acetyloxy-5-benzoyloxy-7-hydroxy-2,4-dimethylheptanoic acid IUPAC Name: (2S,3S,4S,5S)-3-acetyloxy-5-benzoyloxy-7-hydroxy-2,4-dimethylheptanoic acid Traditional Name: (2S,3S,4S,5S)-3-acetoxy-5-benzoyloxy-7-hydroxy-2,4-dimethyl-enanthic acid Formula: C18H24O7 MolecularWeight: 352.37896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCO)OC(=O)C1=CC=CC=C1)C(C(C)C(=O)O)OC(=O)C

Isomeric SMILES

C[C@@H]([C@H](CCO)OC(=O)C1=CC=CC=C1)[C@@H]([C@H](C)C(=O)O)OC(=O)C

InChI

InChI=1S/C18H24O7/c1-11(16(24-13(3)20)12(2)17(21)22)15(9-10-19)25-18(23)14-7-5-4-6-8-14/h4-8,11-12,15-16,19H,9-10H2,1-3H3,(H,21,22)/t11-,12-,15-,16-/m0/s1