(3alpha,5alpha,11beta)-3,11-Dihydroxypregnan-20-one
Grundinformationen
- CAS
23930-29-2- Standard-SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C- InChIKey
NFVCQZNBRFPYOP-DAVHWALQSA-N- Summenformel
- C21H34O3
- Durchschnittliche Molmasse
- 334,5 g/mol
- Monoisotopische Masse
- 334,25079494
Überblick
5alpha-pregnan-3alpha,11beta-diol-20-one is a C21-steroid that is 5alpha-pregnane substituted by an alpha-hydroxy group at position 3, a beta-hydroxy group at position 11 and an oxo group at position 20. It is a metabolite of progesterone. It is an 11beta-hydroxy steroid, a 3alpha-hydroxy steroid, a 20-oxo steroid and a C21-steroid. It derives from a hydride of a 5alpha-pregnane.
Namen und Bezeichner
- Bevorzugter Name
- (3alpha,5alpha,11beta)-3,11-Dihydroxypregnan-20-one
- IUPAC
- 1-[(3R,5S,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]ethanone
- Englischer Name
- 3α,11β-Dihydroxy-5α-pregnan-20-one
- Summenformel
- C21H34O3
- Molmasse
- 334.49
Namen und Synonyme
23930-29-2RefChem:207828(3alpha,5alpha,11beta)-3,11-Dihydroxypregnan-20-one3alpha,11beta-Dihydroxy-5alpha-pregnan-20-one3,11-Dihydroxypregnan-20-one #3,11diOH-DHP4CHEMBL2322582SCHEMBL114404825.alpha.-Pregnan-20-one, 3.alpha.,11.beta.-dihydroxy-CHEBI:233592NFVCQZNBRFPYOP-DAVHWALQSA-NDTXSID301275594
Weitere Namen anzeigen
-pregnan-20-one-Dihydroxy-5α3α,11β-Dihydroxy-5α-pregnan-20-one
Pregnan-20-one, 3,11-dihydroxy-, (3.alpha.,5.alpha.,11.beta.)-3a,11b-di-hydroxy-5a-pregnan-20-one1-[(3R,5S,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]ethanone5alpha-pregnan-3alpha,11beta-diol-20-one3alpha,11-Dihydroxy-5alpha-pregnan-20-one(3I+/-,5I+/-,11I(2))-3,11-Dihydroxypregnan-20-one
Datenbank-Bezeichner
- CAS
23930-29-2- PubChem CID
- 10125849
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 531
Chemie und Industrie
Anwendungen
Verwenden3α,11β-Dihydroxy-5α-pregnan-20-one is a metabolite of progesterone (P755900). Progesterone is a cholesterol derived hormone which is critical for pregnancy. Progesterone is an immunomodulatory female sex steroid.
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安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
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