AC1MICWI
(3R,9S,11S,12R,13R,16R,17R,21R)-5,8,8,12,19,21-hexamethyl-4,6,18,20-tetraoxahexacyclo[11.9.0.01,17.03,7.07,11.016,21]docosane-9,12-diol
Also Known As: 5,6:14,16-Diethylidine-grayanotoxin III|Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6:14,16-bis(ethylidene acetal), (3-beta,6-beta,14R)-|(5S,6aS,7R,7aR,9aR,10R,13aR,14aR)-2,4,4,7,10,12-Hexamethyldodecahydro-2H,10H,12H-10,13b-methano[1,3]dioxolo[8,8a]azuleno[5,6-h][1,3]benzodioxine-5,7-diol|2,4,4,7,10,12-Hexamethyldodecahydro-2H,10H,12H-10,13b-methano[1,3]dioxolo[8,8a]azuleno[5,6-h][1,3]benzodioxine-5,7-diol
| Molecular Formula | C24H38O6 |
|---|---|
| Molecular Weight | 422.26685 g/mol |
| LogP | 2.9847 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 422.26685 |
| Monoisotopic Mass | 422.26685 |
| Heavy Atoms | 30 |
| Complexity | 766.7951 |
Chemical Identifiers
| CAS Number | 59331-15-6 |
|---|---|
| SMILES | CC1O[C@@H]2CC34C[C@@]5([C@@H]([C@H]3OC(O5)C)CC[C@H]4[C@@]([C@H]6C2(O1)C([C@H](C6)O)(C)C)(C)O)C |
Product Overview
AC1MICWI (CAS 59331-15-6), with molecular formula C24H38O6 and molecular weight 422.26685 g/mol. IUPAC: (3R,9S,11S,12R,13R,16R,17R,21R)-5,8,8,12,19,21-hexamethyl-4,6,18,20-tetraoxahexacyclo[11.9.0.01,17.03,7.07,11.016,21]docosane-9,12-diol.
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