Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Vinony's link graph records 14 inbound references to Quassin, and connects out to Wayback Machine, digital object identifier and chemical formula.
Vinony files it under Bitter compounds, Chemical articles with multiple compound IDs and Diketones.
Vinony links it to 11 Wikipedia language editions.
Chemical data
- Formula
- C22H28O6
- Molecular weight
- 388.5 g/mol
- IUPAC name
- (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
- SMILES
- C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
- InChIKey
- IOSXSVZRTUWBHC-LBTVDEKVSA-N
- XLogP
- 2.4
- Polar surface area
- 78.9 Ų
- H-bond donors
- 0
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 388.189
Show 6 more facts
- described by source
- Encyclopædia Britannica 11th edition
- chemical formula
- C₂₂H₂₈O₆
- isomeric SMILES
- C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
- canonical SMILES
- CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC
- Commons category
- Quassin
- has characteristic
- bitterness
via Wikidata · CC0
Connections
Wayback Machine
Entity
digital object identifier
Entity
chemical formula
Entity
melting point
Entity
boiling point
Entity
soft drink
Entity
molar mass
Entity
quinine
Entity
CAS Registry Number
Entity
vapor pressure
Entity
PubChem
Entity
aqueous solution
Entity
simplified molecular input line entry specification
Entity
chemical nomenclature
Entity
ChemSpider
Entity
lactone
Entity
International Chemical Identifier
Entity
European Chemicals Agency
Entity
standard state
Entity
Jmol
Entity