Citlalitrione
(1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione
Also Known As: Citlalitrione|(1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-Pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione|Cyclopenta(4',5')cyclonona(1',2':1,5)cyclopent(1,2-b)oxirene-4,8,9(5H)-trione, 5a,6,7,8a,9a,10,11,11a-octahydro-3,6,6,8a,11-pentamethyl-, (5aR-(1aR*,5aR*,8aS*,9aS*,11R*,11aS*))-
| Molecular Formula | C20H26O4 |
|---|---|
| Molecular Weight | 330.1831 g/mol |
| LogP | 2.8897 |
| Topological Polar Surface Area | 63.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.1831 |
| Monoisotopic Mass | 330.1831 |
| Heavy Atoms | 24 |
| Complexity | 702.4274 |
Chemical Identifiers
| CAS Number | 116368-91-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2C(=O)[C@]3([C@H](CC(=O)/C(=C/[C@]24[C@H]1O4)/C)C(CC3=O)(C)C)C |
Product Overview
Citlalitrione (CAS 116368-91-3), with molecular formula C20H26O4 and molecular weight 330.1831 g/mol. IUPAC: (1R,2E,6R,10S,12S,14R,15S)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione.
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