Ponasterone A
Grundinformationen
- CAS
13408-56-5- Standard-SMILES
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PJYYBCXMCWDUAZ-JJJZTNILSA-N- Summenformel
- C27H44O6
- Durchschnittliche Molmasse
- 464,6 g/mol
- Monoisotopische Masse
- 464,31378912
Namen und Bezeichner
- Bevorzugter Name
- Ponasterone A
- IUPAC
- (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
- Englischer Name
- Ponesterone A
- Summenformel
- C27H44O6
- Molmasse
- 464.63
Namen und Synonyme
Ponasterone A25-deoxyecdysterone13408-56-525-DeoxycedysteroneDTXSID0040595(22R)-2beta,3beta,14,20,22-pentahydroxy-5beta-cholest-7-en-6-one84986BG3NG(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-oneCHEBI:28135Cholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-25-deoxy-20-ecdysone25d20E
Weitere Namen anzeigen
ponesterone APonasterone A, >=98%25-DEOXY-20-HYDROXYECDYSONEPonasterone A, Ecdysone analog2B,3B,14A,20R,22R-PENTAHYDROXY-5B-CHOLEST-7-EN-6-ONE2β,3β,14α,20r,22r-pentahydroxy-5β-cholest-7-en-6-one(20R,22R)-2β,3β,14,20,22-Pentahydroxy-5β-cholesta-7-ene-6-one
(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-6-oneRefChem:175229DTXCID80205952 beta,3 beta,14,20,22-Pentahydroxy-5 beta-cholest-7-en-6-one2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONECHEMBL5497892beta,3beta,14,20,22-Pentahydroxy-5beta-cholest-7-en-6-oneCholest-7-en-6-one, 2,3,14,20,22-pentahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 118 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 823
Physikochemische Eigenschaften
- Schmelzpunkt
- 259 · 259-260° (dec)
- Siedepunkt
- 640.5 · 640.5±55.0 °C(Predicted)
- Dichte
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- Methanol (Slightly, Sonicated), Pyridine (Slightly)
- pka
- 14.13 · 14.13±0.70(Predicted)
- Aggregatzustand
- White to off-white powder.
- Farbe
- White to Off-White
- Biologische Quelle
- synthetic (organic)
- InChIKey
- PJYYBCXMCWDUAZ-JJJZTNILSA-N
- SMILES
- C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@](O)(C)[C@H](O)CCC(C)C)=O |&1:3,6,8,11,13,17,19,22,24,27,r|
- CAS Datenbank
- 13408 · 13408-56-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungPonesterone A, a steroidal compound, falls under the category of ecdysone and can be found in various sources throughout nature. It was first isolated from insect plants by Nakanishi and Horm in 1966. Compared to β-ecdysone, Ponesterone proves to be 3-100 times more potent in specific neurosensory systems.
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