Spiradine A
(1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Also Known As: Spiradine A|6-Hydroxyhetisan-11-one|(14xi,20xi,21xi)-6beta-Hydroxyhetisan-11-one|(1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one|(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.18854 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.18854 |
| Monoisotopic Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 19741-46-9 |
|---|---|
| SMILES | C[C@@]12CCC[C@]34[C@@H]1[C@]5(C[C@]67[C@H]3C(=O)[C@H](CC6C4N5C2)C(=C)C7)O |
| InChIKey | YWJLOJZDBLDKSA-MLJITFGKSA-N |
Product Overview
Spiradine A (CAS 19741-46-9), with molecular formula C20H25NO2 and molecular weight 311.18854 g/mol. IUPAC: (1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one.
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