Molecule ID: 11954213

IUPAC Name: (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one

Description: The molecule is a cyclic ketone. It derives from a phloroglucinol. It is a conjugate acid of a (4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate. It derives from a hydride of a cyclohexa-1,3-diene.

SMILES: CC(=O)C1=C(O)C=C[C@](C)(c2c(O)c(C)c(O)c(C(C)=O)c2O)C1=O

SELFIES: [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C@][Branch1][C][C][Branch2][Ring1][#Branch2][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][O][C][Ring2][Ring1][Branch1][=O]

InChI: InChI=1S/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/t18-/m1/s1

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 2.4