3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-one
Grundinformationen
- CAS
67034-83-7- Standard-SMILES
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O- InChIKey
FMGSKLZLMKYGDP-UHFFFAOYSA-N- Summenformel
- C19H28O2
- Durchschnittliche Molmasse
- 288,4 g/mol
- Monoisotopische Masse
- 288,20893013
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-one
- IUPAC
- 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- Englischer Name
- Dehydroepiandrosterone-16,16-d2
- Summenformel
- C19H26D2O2
- Molmasse
- 290.44
Namen und Synonyme
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneDTXSID8013318663-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-oneRefChem:1067920DTXCID0020903667034-83-73-Hydroxyandrost-5-en-17-oneITdUMFCD00003613Spectrum_000661SpecPlus_000094Spectrum2_000359
Weitere Namen anzeigen
Dehydroepiandrosterone-d2D2-Dehydroepiandrosterone[2H2]-DehydroepiandrosteroneDehydroepiandrosterone-16,16-d2Dehydroepiandrosterone-D2 (DHEA-16,16-d2)Dehydroepiandrosterone (DHEA) (16,16-D?, 97%)Dehydroepiandrosterone-16,16-d2 (DHEA-16,16-d2)
Spectrum3_000116Spectrum4_001395Spectrum5_000130KBioGR_001750KBioSS_001141CHEMBL31399DivK1c_006190SPBio_000457
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 508
Physikochemische Eigenschaften
- Siedepunkt
- 426.696 · 426.696±45.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.122 · 1.122±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Aggregatzustand
- Solid
- pka
- 15.021 · 15.021±0.60(predicted)
- Farbe
- White to off-white
- CAS Number Unlabeled
- 53 · 53-43-0
Chemie und Industrie
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