Sarmentogenin
Grundinformationen
- CAS
76-28-8- Standard-SMILES
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O- InChIKey
FLMSQRUGSHIKCT-DDZQJACLSA-N- Summenformel
- C23H34O5
- Durchschnittliche Molmasse
- 390,5 g/mol
- Monoisotopische Masse
- 390,24062418
Überblick
Sarmentogenin is a member of the class of cardenolides that is 5beta-card-20(22)-enolide which is substituted by hydroxy groups at the 3beta, 11alpha, and 14beta positions. It has a role as a plant metabolite. It is an 11alpha-hydroxy steroid, a 3beta-hydroxy steroid, a 14beta-hydroxy steroid and a member of cardenolides. It derives from a hydride of a 5beta-cardanolide.
Namen und Bezeichner
- Bevorzugter Name
- Sarmentogenin
- IUPAC
- 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Englischer Name
- 11α-Hydroxydigitoxigenin
- Summenformel
- C23H34O5
- Molmasse
- 390.51
Namen und Synonyme
Sarmentogenin76-28-811-alpha-HydroxydigitoxigeninEX5655UIRZ3beta,11alpha,14-Trihydroxy-5beta-card-20(22)-enolideCHEBI:37665DTXSID808786433-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-oneCard-20(22)-enolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-3-((3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-oneRefChem:1098352DTXCID101016685
Weitere Namen anzeigen
11α-Hydroxydigitoxigenin3β,11α,14-Trihydroxy-5β,14β-card-20(22)-enolideCard-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5β,11α)-
SARMENTOGENIN [MI]UNII-EX5655UIRZSCHEMBL1230965CHEMBL10758145-beta-CARD-20(22)-ENOLIDE, 3-beta,11-alpha,14-TRIHYDROXY-11.ALPHA.-HYDROXYDIGITOXIGENINNS00094829Sarmentogenin (11-alpha-Hydoxydigitoxigenin)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 718
Physikochemische Eigenschaften
- Schmelzpunkt
- 278 · 278-282°; melting at 258°
- Siedepunkt
- 435.71 °C · 435.71°C (rough estimate)
- Dichte
- 1.0639 · 1.0639 (rough estimate)
- Brechungsindex
- 1.609 · 1.6090 (estimate)
Chemie und Industrie
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of cardenolides that is 5beta-card-20(22)-enolide which is substituted by hydroxy groups at the 3beta, 11alpha, and 14beta positions.
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