| Identification | Back Directory | [Name]
Apocynoside I | [CAS]
358721-31-0 | [Synonyms]
Apocynoside I
2-Cyclohexen-1-one, 3-[(β-D-glucopyranosyloxy)methyl]-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-5,5-dimethyl-, (4R)- | [Molecular Formula]
C19H30O8 | [MOL File]
358721-31-0.mol | [Molecular Weight]
386.44 |
| Chemical Properties | Back Directory | [Boiling point ]
596.4±50.0 °C(Predicted) | [density ]
1.32±0.1 g/cm3(Predicted) | [pka]
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| |
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