(2S,3R,4R,5S)-2,4-diethanoyl-3-(4-hydroxyphenyl)-5-methyl-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,3R,4R,5S)-2,4-diethanoyl-3-(4-hydroxyphenyl)-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-3-(4-hydroxyphenyl)-5-methyl-cyclohexanone CAS Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-3-(4-hydroxyphenyl)-5-methyl-1-cyclohexanone IUPAC Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-3-(4-hydroxyphenyl)-5-methylcyclohexan-1-one Traditional Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-3-(4-hydroxyphenyl)-5-methyl-cyclohexanone Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)O

Isomeric SMILES

CC(=O)[C@@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)O

InChI

InChI=1S/C17H20O5/c1-9(18)14-13(21)8-17(3,22)16(10(2)19)15(14)11-4-6-12(20)7-5-11/h4-7,14-16,20,22H,8H2,1-3H3/t14-,15-,16+,17-/m0/s1