Cardiopetalidine
(1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Also Known As: Cardiopetalidine|(17xi)-20-Ethyl-4-methylaconitane-1alpha,7,8,14alpha-tetrol|(1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol|(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 | C21H33NO4 |
|---|---|
| Molecular Weight | 363.24097 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.24097 |
| Monoisotopic Mass | 363.24097 |
| Heavy Atoms | 26 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 75375-44-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@](C31)([C@]5(CC[C@H]6C[C@@H]4[C@@H]5[C@H]6O)O)O)O)C |
| InChIKey | AIQHURFKXYCRCF-DFKOQAFRSA-N |
Product Overview
Cardiopetalidine (CAS 75375-44-9), with molecular formula C21H33NO4 and molecular weight 363.24097 g/mol. IUPAC: (1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol.
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