Flexibilide
(1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one
Also Known As: Flexibilide|Sinularin|hydroxy-trimethyl-methylene-[?]one|ND-2200|SID:350085936|(1R,4S,6S,9E,13S,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one|(1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo(12.3.1.04,6)octadec-9-en-16-one|5,15-Dioxatricyclo(12.3.1.0(4,6))octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, (1R-(1R*,4S*,6S*,9E,13S*,14R*))-|5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, [1R-(1R*,4S*,6S*,9E,13S*,14R*)]-|5,15-Dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one, 13-hydroxy-4,9,13-trimethyl-17-methylene-, 1R-(1R*,4S*,6S*,13S*,14R*)-
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21442 g/mol |
| LogP | 3.6833 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.21442 |
| Monoisotopic Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 561.98615 |
Chemical Identifiers
| CAS Number | 65669-72-9 |
|---|---|
| SMILES | C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O |
Product Overview
Flexibilide (CAS 65669-72-9), with molecular formula C20H30O4 and molecular weight 334.21442 g/mol. IUPAC: (1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one.
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