[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Grundinformationen
- CAS
559-83-1- Standard-SMILES
COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)OC(C)C1O- InChIKey
JLPDBLFIVFSOCC-UJQZKUKMSA-N- Summenformel
- C32H48O9
- Durchschnittliche Molmasse
- 576,7 g/mol
- Monoisotopische Masse
- 576,3298331
Überblick
(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate has been reported in Plumeria obtusa with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
- IUPAC
- [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Namen und Synonyme
NSC692219[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetateNSC95089NSC-95089Card-20(22)-enolide,6-dideoxy-3-O-methyl-.alpha.-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.,16.beta.)-
Datenbank-Bezeichner
- CAS
559-83-1- PubChem CID
- 261943
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 121 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 1.080
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Toxikologische Informationen
TreatmentOleandrin poisoning is treated by induced vomiting, gastric lavage, and/or administration of activated charcoal to prevent further absorption. In severe cases, the antidote Digoxin Immune Fab may be used. (L1254)
Health EffectsOleandrin causes both gastrointestinal and cardiac effects. Reactions to poisonings from this plant can also affect the central nervous system, possibly resulting in coma that can lead to death. (L1253)
Exposure RoutesOral (ingestion) (L1817) ; dermal (L1817)
Toxicity SummaryOleandrin likely exerts its toxic effects by inhibiting Na+,K+-ATPase. (A2831)
Signs and Symptoms
The gastrointestinal effects can consist of nausea and vomiting, excess salivation, abdominal pain, diarrhea, and colic. Cardiac reactions consist of irregular heart rate, and extremities may become pale and cold due to poor or irregular circulation. Reactions to poisonings from this plant can also affect the central nervous system. These symptoms can include drowsiness, tremors or shaking of the muscles, seizures, collapse, and even coma that can lead to death. Oleander sap can cause skin irritations, severe eye inflammation and irritation, and allergy reactions characterized by dermatitis. (L1253)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemie und Industrie
Verwendung und Herstellung
UsesOleandrin is a plant toxin found in Oleander (Nerium oleander). (L1253)
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