alpha-Solanine
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: alpha-Solanine|alpha-Solanin||A-Solanine|a-solanine|Solanin|Solatunine|-Solanine|alpha -Solanine|SOLANINE|.alpha.-Solanine||_-Solanine|| cent-Solanine|?-SOLANINE||A-Solanine (Standard)|Prestwick3_000640|alpha-Solanine with HPLC|1,4-butanedioldimethacrylate|BSPBio_000640|BPBio1_000704|HY-N6602R|HY-N6602|EINECS 243-879-8|TN1376
| Molecular Formula | C45H73NO15 |
|---|---|
| Molecular Weight | 867.49805 g/mol |
| LogP | 0.1552 |
| Topological Polar Surface Area | 240.69 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 867.49805 |
| Monoisotopic Mass | 867.49805 |
| Heavy Atoms | 61 |
| Complexity | 1589.3987 |
Chemical Identifiers
| CAS Number | 51938-42-2 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
Product Overview
alpha-Solanine (CAS 51938-42-2), with molecular formula C45H73NO15 and molecular weight 867.49805 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.