Basic information
- CAS
28625-28-7- Standard SMILES
C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H]1CO[C@@H]3CC(=O)[C@]2(C)[C@]13O- InChIKey
FMMLMVQJDDLENY-IUYSZMJMSA-N- Molecular formula
- C15H18O5
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.11542367
Overview
Conchosin A is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- Conchosin A
- IUPAC
- (1S,2R,6S,9R,12R,15R)-15-hydroxy-1-methyl-5-methylidene-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-4,14-dione
Names & synonyms
Conchosin A28625-28-7C09363(1S,2R,6S,9R,12R,15R)-15-hydroxy-1-methyl-5-methylidene-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadecane-4,14-dioneAC1L9CE5CHEBI:3850DTXSID20331762Q27106211(2aR,4aR,6aS,9aR,9bS,9cR)-9c-Hydroxy-9b-methyl-7-methylidenedecahydro-1H-azuleno[4,5-b:1,8-b'c']difuran-1,8(2H)-dione
Database identifiers
- CAS
28625-28-7- PubChem CID
- 442183
- DTXSID
DTXSID20331762- ChEBI
CHEBI:3850- Nikkaji
- J17.170K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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