Dinordrin
[(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate
Also Known As: Dinordrin|Dinordrin I|Dinordrin I dipropanoate|[(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate|2,17alpha-diethynyl-A-nor-5alpha-estrane-2beta,17beta-diol|(2-beta,5-alpha,17-alpha)-2-Ethynyl-A,19-dinorpregn-20-yne-2,17-diol dipropionate|A,19-Dinorpregn-20-yne-2,17-diol, 2-ethynyl-, dipropanoate, (2-beta,5-alpha,17-alpha)-|(17R)-2-Ethynyl-A,19-dinor-5alpha-pregn-20-yne-2beta,17-diol dipropanoate|A,19-Dinorpregn-20-yne-2,17-diol, 2-ethynyl-, dipropanoate, (2beta,5alpha,17alpha)-|((2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno(5,4-e)inden-6-yl) propanoate|(1R,2S,4R,6S,9R,10S,13R,14S)-4,13-diethynyl-14-methyl-13-(propanoyloxy)tetracyclo[7.7.0.02,6.010,14]hexadecan-4-yl propanoate|(1R,3aS,3bR,5aS,7R,8aS,8bR,10aS)-1,7-Diethynyl-10a-methylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl dipropanoate
| Molecular Formula | C27H36O4 |
|---|---|
| Molecular Weight | 424.26135 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.26135 |
| Monoisotopic Mass | 424.26135 |
| Heavy Atoms | 31 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 64675-08-7 |
|---|---|
| SMILES | CCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3C[C@](C4)(C#C)OC(=O)CC)C)C#C |
| InChIKey | JJKGZDJEKZMGTD-QVNHYCNFSA-N |
Product Overview
Dinordrin (CAS 64675-08-7), with molecular formula C27H36O4 and molecular weight 424.26135 g/mol. IUPAC: [(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate.