beta2-Chaconine
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,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]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: beta2-Chaconine|A-Chaconine|beta(sub 2)-Chaconine|KST-1A5751|KST-1A5752|Solanid-5-en-3-yl 4-O-(6-deoxyhexopyranosyl)hexopyranoside|(9xi)-solanid-5-en-3-yl 4-o-(6-deoxy-|A-l-mannopyranosyl)-|A-d-glucopyranoside|beta-D-Glucopyranoside, (3-beta)-solanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-|solanidine 3-O-|A-L-rhamnopyranosyl-(1->4)-|A-D-glucopyranoside|(9xi)-Solanid-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C39H63NO10 |
|---|---|
| Molecular Weight | 705.4452 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 705.4452 |
| Monoisotopic Mass | 705.4452 |
| Heavy Atoms | 50 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 5437-90-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CCC5[C@H]4CC=C6[C@@]5(CCC(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)C)C |
| InChIKey | IBVPROGUDFDQRN-PZFYPTLZSA-N |
Product Overview
beta2-Chaconine (CAS 5437-90-1), with molecular formula C39H63NO10 and molecular weight 705.4452 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,10R,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]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.