Eburicoic Acid
Grundinformationen
- CAS
560-66-7- Standard-SMILES
C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C- InChIKey
UGMQOYZVOPASJF-OXUZYLMNSA-N- Summenformel
- C31H50O3
- Durchschnittliche Molmasse
- 470,7 g/mol
- Monoisotopische Masse
- 470,37599545
Überblick
(2R)-2-[(1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid has been reported in Laetiporus versisporus, Porotheleum, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Eburicoic Acid
- IUPAC
- (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
- Englischer Name
- (2R)-2-[(3S,5S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3 ,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-m ethyl-5-methylidene-heptanoic acid
- Summenformel
- C31H50O3
- Molmasse
- 470.74
Namen und Synonyme
Eburicoic acid560-66-7FE37KG6A7QNSC-41969(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid(2R)-2-((3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acidRefChem:1361883 beta-hydroxy-24-methylene-8-lanostene-21-oic acidEburcoic acid(r)-2-((3s,5r,10s,13r,14r,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methyleneheptanoic acid3beta-Hydroxy-24-methylene-8-lanostene-21-oic acidNSC41969
Weitere Namen anzeigen
Eburicoicaci3beta-Hydroxy-24-methylene-8-lanosten-21-oic acidLanost-8-en-21-oic acid, 3-hydroxy-24-methylene-, (3β)-Eburicoic acid 3β-Hydroxy-24-methylene-8-lanosten-21-oic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 881
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
Physikochemische Eigenschaften
- Schmelzpunkt
- 283 °C · 283 °C
- Siedepunkt
- 572.6 · 572.6±50.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 4.65 · 4.65±0.10(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
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