Delcosine
(1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Also Known As: Delcosine|Delphamine|Lucaconine|Delcosin|Iliensine|Takawo bsae I|Takao base I|(1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-Ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol|(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C24H39NO7 |
|---|---|
| Molecular Weight | 453.27264 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.27264 |
| Monoisotopic Mass | 453.27264 |
| Heavy Atoms | 32 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 545-56-2 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)O)COC |
| InChIKey | BMZNJVXOLCBDPZ-AXCJZLSHSA-N |
Product Overview
Delcosine (CAS 545-56-2), with molecular formula C24H39NO7 and molecular weight 453.27264 g/mol. IUPAC: (1S,2R,3R,4S,5S,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol.