3-Epimaslinic Acid
Grundinformationen
- CAS
26563-68-8- Standard-SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
MDZKJHQSJHYOHJ-HFYZCPLSSA-N- Summenformel
- C30H48O4
- Durchschnittliche Molmasse
- 472,7 g/mol
- Monoisotopische Masse
- 472,35526001
Überblick
Epi-maslinic acid is a pentacyclic triterpenoid that is 3alpha-hydroxy epimer of maslinic acid. Isolated from Prunella vulgaris and Isodon japonicus, it exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a pentacyclic triterpenoid and a dihydroxy monocarboxylic acid. It derives from a hydride of an oleanane.
Namen und Bezeichner
- Bevorzugter Name
- 3-Epimaslinic Acid
- IUPAC
- (4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- Englischer Name
- (2α,3α)-2,3-Dihydroxy-olean-12-en-28-oic acid
- Summenformel
- C30H48O4
- Molmasse
- 472.7
Namen und Synonyme
3-epimaslinic acid26563-68-8(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidDTXSID201315975RefChem:1067700DTXCID801745853epi-Maslinic acid3-epi-maslinic acid2alpha,3alpha-Dihydroxyolean-12-en-28-oic acidCHEMBL383749(2alpha,3alpha)-2,3-dihydroxyolean-12-en-28-oic acidEpimaslinic acid
Weitere Namen anzeigen
2,3-dihydroxy-12 oleanolene-28-acid2,3-Dihydroxy-12-oleanen-28-oic acid(2α,3α)-2,3-Dihydroxy-olean-12-en-28-oic acidOlean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)-Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3α)-3-Epimaslinicacid/23-Dihydroxy-12-oleanen-28-oicacid(2alpha,3alpha)-2,3-Dihydroxy-olean-12-en-28-oic acid
3-epi-masilinic acidorb1683823SCHEMBL5797455CHEBI:66683HY-N1827BDBM50175873TN2701AKOS040760980
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 919
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 · 295-297 °C
- Siedepunkt
- 570 · 570.0±50.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 4.63 · 4.63±0.70(Predicted)
Chemie und Industrie
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