Longicin
(2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one
Also Known As: Longicin|Goniothalamicin|(2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one|2(5H)-Furanone, 5-methyl-3-(2,8,11-trihydroxy-11-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)undecyl)-, (2R-(2alpha(1(S*),2R*,8R*,11R*),5beta(S*)))-
| Molecular Formula | C35H64O7 |
|---|---|
| Molecular Weight | 596.4652 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 596.4652 |
| Monoisotopic Mass | 596.4652 |
| Heavy Atoms | 42 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 170902-34-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCC[C@@H]([C@H]1CCC(O1)[C@@H](CC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O |
| InChIKey | NBVJDUCRUAUMAA-QVGDYDFRSA-N |
Product Overview
Longicin (CAS 170902-34-8), with molecular formula C35H64O7 and molecular weight 596.4652 g/mol. IUPAC: (2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one.
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