Motrilin
Basic information
- CAS
138551-27-6- Standard SMILES
CCCCC[C@H](O)CCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1- InChIKey
XZNOZEYKFBKGEY-AUDZWCKFSA-N- Molecular formula
- C37H66O7
- Average molar mass
- 622.9 g/mol
- Monoisotopic mass
- 622.48085444
Overview
motrilin has been reported in Annona mucosa, Annona cherimola, and other organisms with data available.
Names & identifiers
- Preferred name
- Motrilin
- IUPAC
- (2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6S)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
- English name
- 2(5H)-Furanone, 3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S)-1,6-dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, rel-
- Molecular formula
- C37H66O7
- Molecular weight
- 622.92
Names & synonyms
Motrilin138551-27-6(2S)-4-((13R)-13-((2R,5R)-5-((2R,5R)-5-((1S,6S)-1,6-dihydroxyundecyl)oxolan-2-yl)oxolan-2-yl)-13-hydroxytridecyl)-2-methyl-2H-furan-5-one(2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6S)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1,6-dihydroxyundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, rel-RefChem:159835CHEMBL66691SCHEMBL11961381DTXSID50930146BDBM50369751Q43184772(5S)-3-[(13R)-13-{(2R,2'R,5R,5'R)-5'-[(1S,6S)-1,6-Dihydroxyundecyl][2,2'-bioxolan]-5-yl}-13-hydroxytridecyl]-5-methylfuran-2(5H)-one
Show more names
2(5H)-Furanone, 3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S)-1,6-dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, rel-
3-{13-[5'-(1,6-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 25
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- Melting point
- 31 · 31-32 °C(Solv: chloroform (67-66-3))
- Boiling point
- 763.2 · 763.2±40.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.20(Predicted)
Chemistry & industry
Applications
DescriptionMotrilin is an acetogenin and potential anti-cancer reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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