Grundinformationen
- CAS
68-42-8- Standard-SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12- InChIKey
RHQQHZQUAMFINJ-DTDWNVJFSA-N- Summenformel
- C21H34O4
- Durchschnittliche Molmasse
- 350,5 g/mol
- Monoisotopische Masse
- 350,24570956
Überblick
Tetrahydrocorticosterone is a 21-hydroxy steroid.
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydrocorticosterone
- IUPAC
- 1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
- Lokaler Name
- 3α,11β,21-Trihydroxy-5β-pregnan-20-on
- Englischer Name
- TETRAHYDROCORTICOSTERONE
- Summenformel
- C21H34O4
- Molmasse
- 350.49
Namen und Synonyme
Tetrahydrocorticosterone68-42-8PUW84K2LEC3alpha,11beta,21-Trihydroxy-5beta-pregnan-20-oneDTXSID9010158433alpha,11beta,21-5alpha-trihydroxy-pregnane-20-onealloTHBRefChem:1886553 beta,11 beta,21-trihydroxy-5 alpha-pregnan-20-oneDTXCID301473996ALLOPREGNANE-3 BETA,11 BETA,21-TRIOL-20-ONE1-((1S,2S,5R,7R,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo(8.7.0.02,7.011,15)heptadecan-14-yl)-2-hydroxyethan-1-one
Weitere Namen anzeigen
THBTH 'B'TETRAHYDRO COMPOUND 'B'Tetrahydro Compound ‘B’D5-Tetrahydrocorticosterone5β-Pregnane-3α,11β,21-Triol-20-OneTetrahydrocorticosterone (solution)5β-PREGNAN-3α, 11β, 21-TRIOL-20-ONETetrahydrocorticosterone (Standard)
200-690-51-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone(3ALPHA,5BETA,11BETA)-3,11,21-TRIHYDROXYPREGNAN-20-ONEEINECS 200-690-5tetrahydro-CorticosteroneUNII-PUW84K2LEC3a,5b-TetrahydrocorticosteroneCHEBI:9481
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 548
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section187.18 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 144 · 144~147℃
- Siedepunkt
- 509.6 · 509.6±50.0 °C(Predicted)
- Dichte
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 12.98 · 12.98±0.10(Predicted)
- Aggregatzustand
- Solid
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite Pathways11-beta-hydroxylase deficiency (CYP11B1)
Anwendungen
VerwendenTetrahydrocorticosterone is a urinary steroid metabolite that decreases in postmenopausal women with osteoporosis. Tetrahydrocorticosterone is a potential biomarker of pathol. adrenal function.
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Vorgelagerte Rohstoffe
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