Apocynoside I
Basic information
- CAS
358721-31-0- Standard SMILES
C[C@@H](O)/C=C/[C@H]1C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)CC1(C)C- InChIKey
CIEXYBWLSDBXKL-LZYPWASTNA-N- Molecular formula
- C19H30O8
- Average molar mass
- 386.44 g/mol
Names & identifiers
- Preferred name
- Apocynoside I
- English name
- Apocynoside I
- Molecular formula
- C19H30O8
- Molecular weight
- 386.44
Names & synonyms
Apocynoside I2-Cyclohexen-1-one, 3-[(β-D-glucopyranosyloxy)methyl]-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-5,5-dimethyl-, (4R)-
Database identifiers
- CAS
358721-31-0
Properties
Physicochemical properties
- Boiling point
- 596.4 · 596.4±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.70(Predicted)
- InChIKey
- CIEXYBWLSDBXKL-LZYPWASTNA-N
- SMILES
- C(/[C@@H]1C(CC(=O)C=C1CO[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)(C)C)=C\[C@H](O)C |&1:1,10,11,12,14,16,24,r|
Chemistry & industry
Applications
UsesApocynoside I is a natural product[1].
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Related reactions
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Compound notes
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