Retusamine
4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione
Also Known As: Retusamine|3-ethyl-14b-hydroxy-6,12,15-trimethyl-2,4,7-trioxo-3,4,6,7,9,11,13,14,14a,14b-decahydro-2h-3,6-methano[1,4,8]trioxacyclododecino[11,10,9-gh]pyrrolizin-12-ium|4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione|3-Ethyl-14b-hydroxy-6,12,15-trimethyl-2,4,7-trioxo-3,4,6,7,9,11,13,14,14a,14b-decahydro-2H-3,6-methano(1,4,8)trioxacyclododecino(11,10,9-gh)pyrrolizin-12-ium|4~4~-Ethyl-1~7a~-hydroxy-1~4~,4~2~,4~3~-trimethyl-3,4~5~,5-trioxo-1~2~,1~3~,1~5~,1~7a~-tetrahydro-1~1~H-2,6-dioxa-1(1,7)-pyrrolizina-4(4,2)-oxolanacycloheptaphan-1~4~-ium
| Molecular Formula | C19H26NO7+ |
|---|---|
| Molecular Weight | 380.17093 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.17093 |
| Monoisotopic Mass | 380.17093 |
| Heavy Atoms | 27 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 80296-68-0 |
|---|---|
| SMILES | CCC12C(C(C(=O)OCC3=CC[N+]4(C3(C(CC4)OC1=O)O)C)(OC2=O)C)C |
| InChIKey | ZNDNHSZHGPQSBN-UHFFFAOYSA-N |
Product Overview
Retusamine (CAS 80296-68-0), with molecular formula C19H26NO7+ and molecular weight 380.17093 g/mol. IUPAC: 4-ethyl-17-hydroxy-7,14,18-trimethyl-2,6,9-trioxa-14-azoniatetracyclo[9.5.1.14,7.014,17]octadec-11-ene-3,5,8-trione.
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