11,14-Dihydroxyhetisan-2,13-diyl diacetate
[(3S,5R,9R,11R,17R,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Also Known As: Acehytisine|11,14-Dihydroxyhetisan-2,13-diyl diacetate|J3.746.162H|(9xi,21xi)-11,14-Dihydroxy-2beta,11beta,20xi-hetisan-2,13-diyl diacetate|(3S,5R,9R,11R,17R,19S)-10-(acetyloxy)-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl acetate|(3S,5R,9R,11R,17R,19S)-3-(ACETYLOXY)-9,19-DIHYDROXY-5-METHYL-12-METHYLIDENE-7-AZAHEPTACYCLO[9.6.2.0(1),?.0?,(1)?.0?,(1)?.0?,(1)?.0(1)?,(1)?]NONADECAN-10-YL ACETATE
| Molecular Formula | C24H31NO6 |
|---|---|
| Molecular Weight | 429.21515 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.21515 |
| Heavy Atoms | 31 |
| Complexity | 965.7 |
Chemical Identifiers
| CAS Number | 1394-48-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@]2(CN3C4[C@H]2C5(C1)C3[C@]6(C([C@H]7[C@H](C5C6(C4)CC7=C)O)OC(=O)C)O)C |
Product Overview
11,14-Dihydroxyhetisan-2,13-diyl diacetate (CAS 1394-48-5), with molecular formula C24H31NO6 and molecular weight 429.21515 g/mol. IUPAC: [(3S,5R,9R,11R,17R,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate.
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