Basic information
- CAS
41653-75-2- Standard SMILES
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)CCC(C)=C[C@@H](O)[C@H]12- InChIKey
YMNZWKHEJQGPIA-KOJVQYOGSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
tatridin A has been reported in Tanacetum argenteum, Tanacetum densum, and other organisms with data available.
Names & identifiers
- Preferred name
- (3aS,4R,9S,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
- IUPAC
- (3aS,4R,9S,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Names & synonyms
tatridin ANS00094029
Database identifiers
- CAS
41653-75-2- PubChem CID
- 155802441
- ChEMBL
CHEMBL1087406
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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