Grundinformationen
- Standard-SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O- InChIKey
JSUDNGPWAXYETN-ZBRFXRBCSA-N- Summenformel
- C18H24O5S
- Durchschnittliche Molmasse
- 352,4 g/mol
- Monoisotopische Masse
- 352,13444487
Überblick
17beta-estradiol 17-sulfate is a steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17beta-estradiol. It has a role as a human urinary metabolite. It is a steroid sulfate, a phenolic steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol. It is a conjugate acid of a 17beta-estradiol 17-sulfate(1-).
Namen und Bezeichner
- Bevorzugter Name
- Estradiol 17-sulfate
- IUPAC
- [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
- Englischer Name
- estradiol 17-sulfate
- Summenformel
- C18H24O5S
- Molmasse
- 352.45
Namen und Synonyme
Estradiol 17-sulfate3233-69-0Estradiol-17-sulfateDTXSID50954120RefChem:137910DTXCID801382152estradiol 17beta-sulfateEstradiol 17Beta-sulfate (>90%)[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate3-hydroxyestra-1(10),2,4-trien-17beta-yl hydrogen sulfate17beta-estradiol 17-sulfateEstra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(hydrogen sulfate)
Weitere Namen anzeigen
Estradiol 17β-sulfate17β-Estradiol-17-sulfate17β-Estradiol 17-Sulphate Sodium Salt17β-Estradiol 17-Sulphate, Sodium Salt17β-(Sulfooxy)estra-1,3,5(10)-triene-3-ol1,3,5(10)-Estratriene-3,17β-diol 17-sulfateSulfuric acid 3-hydroxyestra-1,3,5(10)-triene-17β-yl ester1, 3, 5(10)-ESTRATRIEN-3, 17β-DIOL 17-SULPHATE, SODIUM SALT
17beta-estradiol-17-sulfateRXS2JRB6Z8SCHEMBL454879estradiol 17-(hydrogen sulfate)CHEBI:1911923,17beta-dihydroxyestra-1,3,5(10)-triene 17-sulfateestra-1,3,5(10)-triene-3,17beta-diol 17beta-(hydrogen sulfate)(17beta)-estra-1,3,5(10)-triene-3,17-diol 17-(hydrogen sulfate)
Datenbank-Bezeichner
- CAS
3233-69-0- PubChem CID
- 66429
- DTXSID
DTXSID50954120- ChEBI
CHEBI:191192- UNII
- RXS2JRB6Z8
- Nikkaji
- J401.178C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 92,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 585
Chemie und Industrie
Anwendungen
VerwendenEstradiol 17β-sulfate is a naturally occuring steroid in whihc can be converted into Estradiol(E888000)
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