Basic information
- CAS
35878-52-5- Standard SMILES
C=C1C(=O)OC2/C=C(/C)C3OC3/C=C(/C(=O)OC)C(OC(C)=O)C(OC(=O)C3(C)OC3C)C12- InChIKey
SDWFMFKVWKMICC-OKFFXAGVSA-N- Molecular formula
- C23H26O10
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 462.15259702
Overview
Melampodin A acetate has been reported in Melampodium leucanthum with data available.
Names & identifiers
- Preferred name
- Melampodin-A-AC
- IUPAC
- methyl (2Z,7E)-9-acetyloxy-10-(2,3-dimethyloxirane-2-carbonyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
Names & synonyms
Melampodin-A-AC35878-52-5NSC294602MELAMPODIN A ACETATESCHEMBL6420405DTXSID40420420NSC-294602Methyl (2E,9Z)-4-(acetyloxy)-5-[(2,3-dimethyloxirane-2-carbonyl)oxy]-10-methyl-6-methylidene-7-oxo-1a,4,5,5a,6,7,8a,10a-octahydrooxireno[7,8]cyclodeca[1,2-b]furan-3-carboxylateOxireno[7,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[[(2,3-dimethyloxiranyl)carbonyl]oxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3R*),5aS*,8aR*,9E,10aS*]]-
Database identifiers
- CAS
35878-52-5- PubChem CID
- 5477121
- DTXSID
DTXSID40420420
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 993
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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