Isoapetalic acid
3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]hexanoic acid
Also Known As: Isoapetalic acid|Apetalic acid|J2.081.429B|3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]hexanoic acid|3-((2S,3S)-5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H, 8H-benzo[1,2-b:5,4-b]dipyran-10-yl)-hexanoic acid|3-[(2S)-2beta,3alpha,8,8-Tetramethyl-4-oxo-5-hydroxy-3,4-dihydro-2H,8H-benzo[1,2-b:5,4-b ]dipyran-10-yl]hexanoic acid|3-[(2S,3S)-5-HYDROXY-2,3,8,8-TETRAMETHYL-4-OXO-2H,3H,4H,8H-PYRANO[3,2-G]CHROMEN-10-YL]HEXANOIC ACID
| Molecular Formula | C22H28O6 |
|---|---|
| Molecular Weight | 388.1886 g/mol |
| LogP | 4.5345 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.1886 |
| Monoisotopic Mass | 388.1886 |
| Heavy Atoms | 28 |
| Complexity | 851.31836 |
Chemical Identifiers
| CAS Number | 34366-34-2 |
|---|---|
| SMILES | CCCC(CC(=O)O)C1=C2C(=C(C3=C1O[C@H]([C@@H](C3=O)C)C)O)C=CC(O2)(C)C |
Product Overview
Isoapetalic acid (CAS 34366-34-2), with molecular formula C22H28O6 and molecular weight 388.1886 g/mol. IUPAC: 3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]hexanoic acid.