Grundinformationen
- Standard-SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
QXKRUGDXPWHXHL-FQJIPJFPSA-N- Summenformel
- C23H34O4
- Durchschnittliche Molmasse
- 374,5 g/mol
- Monoisotopische Masse
- 374,24570957
Namen und Bezeichner
- Bevorzugter Name
- Androstenediol diacetate
- IUPAC
- [(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Lokaler Name
- Androst-5-en-(3β,17β)-diyldiacetat
- Englischer Name
- Androstenediol diacetate
- Summenformel
- C23H34O4
- Molmasse
- 374.51
Namen und Synonyme
Androstenediol diacetate2099-26-5Androst-5-ene-3beta,17beta-diol 3,17-diacetate[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate262F47Z2CDAndrost-5-ene-3,17-diol, 3,17-diacetate, (3beta,17beta)-SCHEMBL607024UNII-262F47Z2CDAndrostenediol 3,17-diacetateDTXSID10943297EM-1305-CS3beta,17betadiacetoxyandrost-5-ene
Weitere Namen anzeigen
androst-5-ene-3a,17β-diolANDROSTENDIOL 3,17-DIACETATEAndrostenediol 3,17-diacetat3β,17β-Diacetoxyandrosta-5-eneAndrosta-5-ene-3β,17β-diol diacetateDELTA-5-ANDROSTENE-3,17-DIOL DIACETATEAndrost-5-ene-3β,17β-diol 3,17-diacetate5-ANDROSTEN-3-BETA, 17-BETA-DIOL DIACETATEandrost-5-ene-(3beta,17beta)-diyl diacetate
EINECS 218-264-23beta,17beta diacetoxyandrost-5-ene5-Isoandrosten-3,17-diol diacetateANDROSTENEDIOL DIACETATE [MI]3beta,17beta-diacetoxy-androst-5-en3beta,17beta- diacetoxyandrost-5-eneFA670255-androstene-3beta,17beta-diol diacetate
Datenbank-Bezeichner
- CAS
2099-26-5- PubChem CID
- 102205
- DTXSID
DTXSID10943297- UNII
- 262F47Z2CD
- EC Number
- 218-264-2
- Nikkaji
- J298.693K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 667
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-166°
- Siedepunkt
- 448.9 · 448.9±45.0 °C(Predicted)
- Dichte
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
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