Aceteylleptocarpin
Basic information
- CAS
73522-57-3- Standard SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)C(OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12- InChIKey
FKBYLKGHMBGEOZ-SNAZSDPJSA-N- Molecular formula
- C22H28O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18350323
Names & identifiers
- Preferred name
- Aceteylleptocarpin
- IUPAC
- [(1R,2R,4R,6R,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate
- English name
- 2-Butenoic acid, 2-methyl-, (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, (2Z)-
- Molecular formula
- C22H28O7
- Molecular weight
- 404.45
Names & synonyms
Aceteylleptocarpin[(1R,2R,4R,6R,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate2-Butenoic acid, 2-methyl-, (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester, (2Z)-2-Butenoic acid, 2-methyl-, (1aR,3S,4Z,5aR,8aR,9R,10aR)-3-(acetyloxy)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester, (2Z)-
Database identifiers
- CAS
73522-57-3- PubChem CID
- 6440486
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 808
Physicochemical properties
- Boiling point
- 533.5 · 533.5±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionLeptocarpin acetate is a [35S]-methionine uptake inhibitor.
UsesLeptocarpin acetate is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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