Dihydrocitrinone
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Basic information
- CAS
65718-85-6- Standard SMILES
Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)OC2=O- InChIKey
VVVMDYGNIVXIIG-INEUFUBQSA-N- Molecular formula
- C13H14O6
- Average molar mass
- 266.249 g/mol
- Monoisotopic mass
- 266.07903817
Names & identifiers
- Preferred name
- Dihydrocitrinone
- IUPAC
- (3R,4S)-6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
- English name
- dihydrocitrinone
- Molecular formula
- C13H14O6
- Molecular weight
- 266.25
Names & synonyms
dihydrocitrinone3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-1H-2-benzopyran-7-carboxylic acid1-Oxo-3,4-dihydro-3,4,5-trimethyl-6,8-dihydroxy-1H-2-benzopyran-7-carboxylic acid1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-, (3R,4S)-
Database identifiers
- CAS
65718-85-6- PubChem CID
- 163095
- DTXSID
DTXSID10215926- ChEMBL
CHEMBL465858- UNII
- 9I8K50016V
- Nikkaji
- J3.749.777K
Properties
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 506.581 · 506.581±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1 · 1.000±0.60(predicted)
- FDA UNII
- 9 I8K50016V · 9I8K50016V
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Compound notes
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