AC1MICUF
(3R,9S,11S,12R,13R,17R,19S)-5,8,8,12,17-pentamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-9,12,17,19-tetrol
Also Known As: 5,6-Ethylidene-grayanotoxin III|Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6-(ethylidene acetal), (3-beta,6-beta,14R)-|(5S,6aS,7R,7aR,11R,13aR,14S)-2,4,4,7,11-Pentamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,14-tetrol|2,4,4,7,11-Pentamethyldodecahydro-2H,4H-10,12a-methanocyclopenta[3,4]heptaleno[2,3-d][1,3]dioxole-5,7,11,14-tetrol
| Molecular Formula | C22H36O6 |
|---|---|
| Molecular Weight | 396.2512 g/mol |
| LogP | 1.5765 |
| Topological Polar Surface Area | 99.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.2512 |
| Monoisotopic Mass | 396.2512 |
| Heavy Atoms | 28 |
| Complexity | 688.51447 |
Chemical Identifiers
| CAS Number | 59236-85-0 |
|---|---|
| SMILES | CC1O[C@@H]2CC34C[C@@](C([C@@H]3O)CC[C@H]4[C@@]([C@H]5C2(O1)C([C@H](C5)O)(C)C)(C)O)(C)O |
Product Overview
AC1MICUF (CAS 59236-85-0), with molecular formula C22H36O6 and molecular weight 396.2512 g/mol. IUPAC: (3R,9S,11S,12R,13R,17R,19S)-5,8,8,12,17-pentamethyl-4,6-dioxapentacyclo[14.2.1.01,13.03,7.07,11]nonadecane-9,12,17,19-tetrol.
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