Samandarone
Grundinformationen
- CAS
467-52-7- Standard-SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@@]43C)[C@@H]1CC(=O)C2- InChIKey
XWTQFFNBWQHSFL-ZZOJTZHCSA-N- Summenformel
- C19H29NO2
- Durchschnittliche Molmasse
- 303,4 g/mol
- Monoisotopische Masse
- 303,21982917
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Samandarone
- IUPAC
- (1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one
Namen und Synonyme
SamandaroneSamandaron467-52-7L7Q20Q6G3Z3-Aza-A-homoandrostan-16-one, 1,4-epoxy-, (1alpha,4alpha,5beta)-RefChem:1810693-aza-A-homoandrostan-16-one, 1,4-epoxy-, (1 alpha,4 alpha,5 beta)-(1R,2S,3S,6R,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-oneUNII-L7Q20Q6G3ZBRN 00241494-27-00-02775 (Beilstein Handbook Reference)orb1695319
Weitere Namen anzeigen
SAMANDARINE SAMANDARONE [MI]AKOS040753912(2S,5R,5aS,5bS,7aR,10aS,10bS,12aR)-5a,7a-dimethylhexadecahydro-2,5-epoxycyclopenta[5,6]naphtho[1,2-d]azepin-9(1H)-oneHY-122428C19951T34502Q272828133-Aza-A-homoandrostan-16-one, 1,4-epoxy-, (1-alpha,4-alpha,5-beta)-
Datenbank-Bezeichner
- CAS
467-52-7- PubChem CID
- 12315228
- UNII
- L7Q20Q6G3Z
- Nikkaji
- J12.674H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 520
Chemie und Industrie
Verwendung und Herstellung
Uses
The two major alkaloids, samandarine and samandarone, have been identified in the skin secretions from two populations of the European fire salamander (Salamandra salamandra terrestris). There is high intraspecific variability in the ratio of these alkaloids, and also in individual specimens over a period of months. This suggests separate metabolic pathways of the compounds. Alkaloid synthesis also appears to take place in the liver, testes, and ovaries.
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