3beta-Acetoxy-5alpha-pregnan-20-one

HCID 227113CAS 906-83-2
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Grundinformationen

Standard-SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1
InChIKey
GFHOQCXDABGYAL-POBGKJHXSA-N
Summenformel
C23H36O3
Durchschnittliche Molmasse
360,5 g/mol

Überblick

3beta-Hydroxy-5alpha-pregnan-20-one acetate is a steroid ester.

Namen und Bezeichner

Bevorzugter Name
3beta-Acetoxy-5alpha-pregnan-20-one
IUPAC
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Englischer Name
Allopregnanolone acetate
Summenformel
C23H36O3
Molmasse
360.53

Namen und Synonyme

3beta-Acetoxy-5alpha-pregnan-20-one906-83-23beta-Hydroxy-5alpha-pregnan-20-one acetate[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateAllopregnan-3.beta.-ol-20-one acetateAllopregnanolone acetate5alpha-Pregnan-3beta-ol-20-one 3beta-acetate20-Oxopregnan-3-yl acetate #5?-Pregnan-3?-ol-20-one 3?-acetateA-Pregnan-35|A-Pregnan-3|A-ol-20-one 3|A-acetate20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE
Weitere Namen anzeigen
-Acetate-Pregnan-3β-ol-20-one3βAllogenein acetateEPIALLOPREGNANOLONE ACETATE5α-PREGNAN-3β-OL-20-ONE ACETATEAllopregnan-3β-ol-20-one acetate5A-pregnan-3B-ol-20-one 3B-acetateAllopregnan-3.β.-ol-20-one acetate
SCHEMBL6430295.alpha.-Pregnan-20-one, 3.beta.-hydroxy-, acetateCHEBI:79918Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-Pregnan-3-.beta.-acetoxy-20-oneNSC183185.alpha.-Pregnan-20-one, acetateNSC-18318

Datenbank-Bezeichner

CAS
906-83-2
PubChem CID
227113
ChEBI
CHEBI:79918
EC Number
149-048-5
Nikkaji
J144.135C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,4
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
26

Physikochemische Eigenschaften

Schmelzpunkt
143 °C · 143 °C
Siedepunkt
443.7 · 443.7±18.0 °C(Predicted)
Dichte
1.07 · 1.07±0.1 g/cm3(Predicted)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5α-Pregnan-3β-ol-20-one 3β-Acetate is a derivative of Pregnenolone (P712200); a steroid hormone involved in the steroidogenesis of progesterone, mineralocorticoids, glucocorticoids, androgens, and estrogens. As such it is a prohormone. Pregnenolone is a GABAA antagonist and increases neurogenesis in the hippocampus. It is a modulator of cytochrome P 450-3A.

Anbieter42 Anbieter

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

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