Alpha-Chaconine
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(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]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: alpha-Chaconine|Chaconine|a-Chaconine|Conine||A-Chaconine||A-?Chaconine|.alpha.-Chaconine|alpha -Chaconine|alpha-?Chaconine||_-Chaconine||A- Chaconine|??-?Chaconine||A-?Chaconine (Standard)|.ALPHA.-CHACONINE [MI]|alpha-Chaconine from potato sprouts|NP0053|TN1374|HY-129113R|SID:252166925|4-21-00-01401 (Beilstein Handbook Reference)
| Molecular Formula | C45H73NO14 |
|---|---|
| Molecular Weight | 851.5031 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 851.5031 |
| Monoisotopic Mass | 851.5031 |
| Heavy Atoms | 60 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 20562-03-2 |
|---|---|
| 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[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C |
| InChIKey | TYNQWWGVEGFKRU-AJDPQWBVSA-N |
Product Overview
Alpha-Chaconine (CAS 20562-03-2), with molecular formula C45H73NO14 and molecular weight 851.5031 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(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]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
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