Hippuristanol
Grundinformationen
- CAS
80442-78-0- Standard-SMILES
C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C- InChIKey
HPHXKNOXVBFETI-SHCCRYCOSA-N- Summenformel
- C28H46O5
- Durchschnittliche Molmasse
- 462,7 g/mol
- Monoisotopische Masse
- 462,33452456
Überblick
hippuristanol has been reported in Isis hippuris with data available.
Namen und Bezeichner
- Bevorzugter Name
- Hippuristanol
- IUPAC
- (1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol
- Englischer Name
- Furostan-3,11,20-triol,22,25-epoxy-24- methyl-,(3R,5R,11a,22a,24S)-
- Summenformel
- C28H46O5
- Molmasse
- 462.66
Namen und Synonyme
Hippuristanol80442-78-045PK2NS4NQDTXSID50433627(1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol(1S,2S,3'S,4S,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,5'-oxolane)-7,11,16-triolRefChem:146462DTXCID20384455((1S,2S,3'S,4S,6S,7R,8R,9S,11S,12S,13S,16R,18S)-7,16-dihydroxy-2',2',3',7,9,13-hexamethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,5'-oxolane)-11-yl) acetateDesacetoxyhippurin 1A1I1Lorb1700398
Weitere Namen anzeigen
22âFurostan-3,11,20-triol,22,25-epoxy-24- methyl-,(3R,5R,11âFurostan-3,11,20-triol,22,25-epoxy-24- methyl-,(3R,5R,11a,22a,24S)-Furostan-3,11,20-triol, 22,25-epoxy-24-methyl-, (3α,5α,11β,22β,24S)-
SCHEMBL1374807CHEMBL1098427HPHXKNOXVBFETI-SHCCRYCOSA-NBDBM50235738AKOS027323973T27544Q10861089(22R,24S)-24-Methyl-5alpha-22,25-epoxyfurostan-3alpha,11beta,20-triol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 79,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 829
Physikochemische Eigenschaften
- Siedepunkt
- 583 · 583.0±50.0 °C(Predicted)
- Dichte
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 14.72 · 14.72±0.70(Predicted)
Chemie und Industrie
Anwendungen
VerwendenHippuristanol is a natural product that targets eIF4A by interfering with the helicase''s RNA-binding activity in distinct manners.
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