(3S,4R,5S)-5-methyl-4-[4-methyl-2,3-bis(oxidanyl)phenyl]-3-oxidanyl-oxan-2-one

Systemtic Name: (3S,4R,5S)-5-methyl-4-[4-methyl-2,3-bis(oxidanyl)phenyl]-3-oxidanyl-oxan-2-one Openeye Name: (3S,4R,5S)-4-(2,3-dihydroxy-4-methyl-phenyl)-3-hydroxy-5-methyl-tetrahydropyran-2-one CAS Name: (3S,4R,5S)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyl-2-oxanone IUPAC Name: (3S,4R,5S)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one Traditional Name: (3S,4R,5S)-4-(2,3-dihydroxy-4-methyl-phenyl)-3-hydroxy-5-methyl-tetrahydropyran-2-one Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(=O)C(C1C2=C(C(=C(C=C2)C)O)O)O

Isomeric SMILES

C[C@@H]1COC(=O)[C@H]([C@H]1C2=C(C(=C(C=C2)C)O)O)O

InChI

InChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7-,9-,12+/m1/s1