(4R,5S,6S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Basic information
- CAS
52212-94-9- Standard SMILES
CCC1C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O- InChIKey
VWVDRJWACDDRKD-YYXMOKMLSA-N- Molecular formula
- C20H32O6
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.21988874
Names & identifiers
- Preferred name
- (4R,5S,6S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
- IUPAC
- (4R,5S,6S,9R,11E,13E,16R)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Names & synonyms
52212-94-9DTXSID301107149AKOS040753578T34085(4R,5S,6S,7S,9R,11E,13E,16R)-7-Ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione
Database identifiers
- CAS
52212-94-9- PubChem CID
- 165367288
- Nikkaji
- J9.777B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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