Petromyzonol
Grundinformationen
- CAS
28979-29-5- Standard-SMILES
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
BMSROUVLRAQRBY-JLIFGLSWSA-N- Summenformel
- C24H42O4
- Durchschnittliche Molmasse
- 394,6 g/mol
- Monoisotopische Masse
- 394,30830982
Überblick
5alpha-cholane-3alpha,7alpha,12alpha,24-tetrol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 24-hydroxy steroid. It derives from a hydride of a 5alpha-cholane.
Namen und Bezeichner
- Bevorzugter Name
- Petromyzonol
- IUPAC
- (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
- Englischer Name
- PETROMYZONOL
- Summenformel
- C24H42O4
- Molmasse
- 394.59
Namen und Synonyme
Petromyzonol5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol5alpha-Cholan-3alpha,7alpha,12alpha,24-tetrolCHEBI:50108RefChem:109463528979-29-5(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol5a-cholan-3a,7a,12a,24-tetrolST 24:0;O4(3a,5a,7a,12a)Cholane-3,7,12,24-tetrolCholane-3,7,12,24-tetrol, (3alpha,5alpha,7alpha,12alpha)-5| cent-Petromyzonol
Weitere Namen anzeigen
5α-PetroMyzonol5-α-Cholane-3-α,7-α,12-α,24-tetrol(3α,5α,7α,12α)-Cholane-3,7,12,24-tetrolCholane-3,7,12,24-tetrol, (3α,5α,7α,12α)-3ALPHA,7ALPHA,12ALPHA,24-TETRAHYDROXY-5ALPHA-CHOLANE
5| cent-Petromyzonol5-A-CHOLANE-3-A,7-A,12-A,24-TETROLorb1692580SCHEMBL9697393HMS3649N19LMST04010301MFCD00270062AKOS025213187
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 80,9 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 567
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Physikochemische Eigenschaften
- Schmelzpunkt
- 228 · 228-230°C
- Siedepunkt
- 545.1 · 545.1±50.0 °C(Predicted)
- Dichte
- 1.134 · 1.134
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 14.65 · 14.65±0.70(Predicted)
- Farbe
- White
Chemie und Industrie
Anbieter15 Anbieter
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