Jaconine
(1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Also Known As: Jaconine|4-27-00-06661 (Beilstein Handbook Reference)|(15-alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione|(15r)-20-chloro-12,15-dihydroxy-15,20-dihydrosenecionan-11,16-dione|Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, (15-alpha,20R)-|(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-((1R)-1-chloroethyl)-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-, (3R,5R,6S,14aR,14bR)-
| Molecular Formula | C18H26ClNO6 |
|---|---|
| Molecular Weight | 387.14487 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.14487 |
| Heavy Atoms | 26 |
| Complexity | 633.2 |
Chemical Identifiers
| CAS Number | 480-75-1 |
|---|---|
| SMILES | C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O |
Product Overview
Jaconine (CAS 480-75-1), with molecular formula C18H26ClNO6 and molecular weight 387.14487 g/mol. IUPAC: (1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione.
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