(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one
Grundinformationen
- CAS
1401-54-3- Standard-SMILES
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)CCC(=C)[C@]21O- InChIKey
CFUWPZZLCJXNSQ-XXUMUBMXSA-N- Summenformel
- C15H20O4
- Durchschnittliche Molmasse
- 264,32 g/mol
- Monoisotopische Masse
- 264,13615911
Überblick
Tanacetin is a sesquiterpene lactone.
Namen und Bezeichner
- Bevorzugter Name
- (3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one
- IUPAC
- (3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Namen und Synonyme
Tanacetin1401-54-33JZ8COC2DKNaphtho(1,2-b)furan-2(3H)-one, decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aS,6R,9aR,9bS)-DTXSID201112028Naphtho(1,2-b)furan-2(3H)-one, decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo(g)(1)benzofuran-2-one(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-oneRefChem:1050157DTXCID901543638
Weitere Namen anzeigen
UNII-3JZ8COC2DKTANACETIN [MI]CHEBI:173151NS00094028Q27257350(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzouran-2-one(3aS,5aS,6R,9aR,9bS)-6,9a-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-oneNAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-6,9A-DIHYDROXY-5A-METHYL-3,9-BIS(METHYLENE)-, (3AS-(3A.ALPHA.,5A.BETA.,6.BETA.,9A.ALPHA.,9B.BETA.))-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 483
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…