主记录
Grandiflorone
- CAS
- 10499-26-0
- PubChem CID
- 3014646
- SMILES
- CC1(C(=C(C(=O)C(C1=O)(C)C)C(=O)CCC2=CC=CC=C2)O)C
- 分子式
- C19H22O4
- 分子量
- 314.381
- 精确分子量
- 314.1518
- InChI
- InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
- InChIKey
- KUWGTESSHWPSOB-UHFFFAOYSA-N
- LogP
- 3.2046
- TPSA
- 71.44
名称与别名
- Grandiflorone
- RefChem:98666
- AC1MHZY5
- DTXSID50146902
- CHEMBL3810189
- DTXCID4069393
- SCHEMBL29544228
- CHEBI:137843
- AIDS340025
- C19H22O4
- LMPK12120595
- 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
- C19-H22-O4
- CID3014646
- 10499-26-0
- 5-hydroxy-2,2,6,6-tetramethyl-4-(3-phenylpropanoyl)cyclohex-4-ene-1,3-dione
- 5-Hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-4-cyclohexene-1,3-dione