(3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
Basic information
- CAS
81026-38-2- Standard SMILES
C=C1C(=O)OC2/C=C(/C)CC/C=C(/C(=O)O)CC/C=C(/C)CC[C@@H]12- InChIKey
SORYERHBQFTRIK-QWSITWSFSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
- IUPAC
- (3aS,6Z,10E,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
Names & synonyms
NSC 343763
Database identifiers
- CAS
81026-38-2- PubChem CID
- 6444121
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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