3-O-((S)-2-Methylbutyroyl)Pinobanksin
Basic information
- CAS
437717-44-7- Standard SMILES
CC[C@H](C)C(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1- InChIKey
ZDDSHWOLTYMTJG-SYURPWHHSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598835
Names & identifiers
- Preferred name
- 3-O-((S)-2-Methylbutyroyl)Pinobanksin
- IUPAC
- [(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] (2S)-2-methylbutanoate
Names & synonyms
RefChem:2067173-O-((S)-2-Methylbutyroyl)Pinobanksin((2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl) (2S)-2-methylbutanoateCHEMBL464454SCHEMBL31157038DTXSID601120332(2R,3R)-3,4-Dihydro-5,7-dihydroxy-4-oxo-2-phenyl-2H-1-benzopyran-3-yl (2S)-2-methylbutanoate437717-44-7(2R,3R)-5,7-Dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl (2S)-2-methylbutanoate
Database identifiers
- CAS
437717-44-7- PubChem CID
- 636686
- DTXSID
DTXSID601120332- ChEMBL
CHEMBL464454
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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