Allopregnane-3alpha,20beta-diol
Grundinformationen
- CAS
566-57-4- Standard-SMILES
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
YWYQTGBBEZQBGO-HZCKZVNYSA-N- Summenformel
- C21H36O2
- Durchschnittliche Molmasse
- 320,5 g/mol
- Monoisotopische Masse
- 320,27153039
Namen und Bezeichner
- Bevorzugter Name
- Allopregnane-3alpha,20beta-diol
- IUPAC
- (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Englischer Name
- 5-alpha-Pregnan-3-alpha, 20-beta-diol
- Summenformel
- C21H36O2
- Molmasse
- 320.51
Namen und Synonyme
Allopregnane-3alpha,20beta-diol566-57-4UNII-5W3FD262175W3FD26217Allopregnane-3alpha,20beta-diol [MI]3alpha,20beta-Dihydroxy-5alpha-pregnanePregnane-3,20-diol, (3alpha,5alpha,20R)-(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol5.alpha.-Pregnane-3.alpha.,20.alpha.-diolAllopregnane-3alpha,20ss-diolSCHEMBL3046289CHEMBL1221684
Weitere Namen anzeigen
20?-diolAllopregnane-3α5α-PREGNAN-3α, 20β-DIOL5α-Pregnan-3α, 20R-DiolAllopregnane-3α,20?-diol5α-Pregnan-3α, 20R- DiolAllopregnane-3a,20b-diol5-A-pregnane-3-A-20-B-diolAllopregnane-3ALPHA,20B-diolAlloProgesterone-3α,20β-Diol
DTXSID001306469(20R)-5alpha-Pregnane-3alpha,20-diol(20R)3alpha,20-Dihydroxy-5alpha-pregnane(20 R)3alpha.20-Dihydroxy-5alpha-pregnaneALLOPREGNANE-3.ALPHA.,20.BETA.-DIOL(3I+/-,5I+/-,20R)-Pregnane-3,20-diolALLOPREGNANE-3.ALPHA.,20.BETA.-DIOL [MI]Q27262948
Datenbank-Bezeichner
- CAS
566-57-4- PubChem CID
- 22868516
- DTXSID
DTXSID001306469- ChEMBL
CHEMBL1221684- UNII
- 5W3FD26217
- Nikkaji
- J322.221G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 463
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-209°
Chemie und Industrie
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