Nemorensine
(1R,5R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione
Also Known As: Nemorensine|Bis(2-hydroxyethyl)ammonium hydrogen maleate|2-hydroxy-4-isopropyl-6-methyl-7,8-dioxo-naphthalene-1-carbaldehyde|(1R,5R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione|C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-|(1~1~R,1~7~S,1~7a~R,5~2~R,5~5~R)-5~2~,5~4~,5~5~-Trimethyl-1~2~,1~3~,1~5~,1~6~,1~7~,1~7a~-hexahydro-1~1~H-2,7-dioxa-1(1,7)-pyrrolizina-5(2,5)-oxolanacyclooctaphane-3,6-dione|(1alpha,12R,15R)-12,15-Epoxy-1,2,15,20-tetrahydro-C(16a)-homo-21-norsenecionan-11,16a-dione|4,6,7-Trimethyldodecahydro-2H-4,7-epoxy[1,6]dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(3H)-dione
| Molecular Formula | C18H27NO5 |
|---|---|
| Molecular Weight | 337.18893 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 337.18893 |
| Monoisotopic Mass | 337.18893 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 50906-96-2 |
|---|---|
| SMILES | CC1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3[C@H](CC4)COC(=O)[C@@]1(O2)C)C |
| InChIKey | DNEINKNDPRUHLP-NDBJNJODSA-N |
Product Overview
Nemorensine (CAS 50906-96-2), with molecular formula C18H27NO5 and molecular weight 337.18893 g/mol. IUPAC: (1R,5R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione.
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