2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (5S)-
Basic information
- CAS
145165-09-9- Standard SMILES
CCCCCCCCCC[C@H](OC(C)=O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1- InChIKey
JQOYPOSGHDJFLI-AVNCTIOFSA-N- Molecular formula
- C39H68O7
- Average molar mass
- 649 g/mol
- Monoisotopic mass
- 648.4965045
Overview
Uvaricin is a polyketide.
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (5S)-
- IUPAC
- [(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate
Names & synonyms
Uvaricin82064-83-3YGW6MN47BBRefChem:908456((1S)-1-((2R,5R)-5-((2R,5R)-5-((1R)-1-hydroxy-13-((2S)-2-methyl-5-oxo-2H-furan-4-yl)tridecyl)tetrahydrofuran-2-yl)tetrahydrofuran-2-yl)undecyl) acetate2(5H)-Furanone, 3-(13-(5'-(1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1-(acetyloxy)undecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (5S)-[(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetateCHEMBL504329C08572(+)-UVARICINCHEBI:9916
Show more names
SCHEMBL5881208DTXSID401002455DTXSID501043967Q2481797(1S)-1-[(2R,2'R,5R,5'R)-5'-{(1R)-1-Hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl]tridecyl}[2,2'-bioxolan]-5-yl]undecyl acetate(1S)a1a[(2R,2'R,5R,5'R)a5'a[(1R)a1aHydroxya13a[(5S)a5amethyla2aoxoa2,5adihydrofurana3ayl]tridecyl]a[2,2'abioxolan]a5ayl]undecyl acetate145165-09-92(5H)-FURANONE, 3-((13R)-13-((2R,2R,5R,5R)-5-((1S)-1-(ACETYLOXY)UNDECYL)OCTAHYDRO(2,2-BIFURAN)-5-YL)-13-HYDROXYTRIDECYL)-5-METHYL-, (5S)-
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 27
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 872
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…