Heliotrine, 4-oxide
[(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: Heliotrine N-oxide, Heliotrine, N-oxide, Heliotrine, 4-oxide, [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate, (1S-(1alpha,7(2R*,3S*),7aalpha))-2-Hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate, Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (1S-(1-alpha,7(2R*,3S*),7a-alpha))-, (1S,7AS)-1-HYDROXY-7-{[(2-HYDROXY-2-ISOPROPYL-3-METHOXYBUTANOYL)OXY]METHYL}-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-4-IUM-4-OLATE, Butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester
| Molecular Formula | C16H27NO6 |
|---|---|
| Molecular Weight | 329.18384 g/mol |
| LogP | 0.34 |
| Topological Polar Surface Area | 99.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.18384 |
| Heavy Atoms | 23 |
| Complexity | 493 |
Chemical Identifiers
| CAS Number | 6209-65-0 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2([C@@H]1[C@H](CC2)O)[O-])O |
Product Overview
Heliotrine, 4-oxide (CAS 6209-65-0), with molecular formula C16H27NO6 and molecular weight 329.18384 g/mol. IUPAC: [(7S,8S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
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