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

Systemtic Name: (2R,3R,4R,5S)-3-(1,3-benzodioxol-5-yl)-2,4-diethanoyl-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-cyclohexanone CAS Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-1-cyclohexanone IUPAC Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methylcyclohexan-1-one Traditional Name: (2R,3R,4R,5S)-2,4-diacetyl-3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-cyclohexanone Formula: C18H20O6 MolecularWeight: 332.3478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20O6/c1-9(19)15-12(21)7-18(3,22)17(10(2)20)16(15)11-4-5-13-14(6-11)24-8-23-13/h4-6,15-17,22H,7-8H2,1-3H3/t15-,16+,17-,18+/m1/s1