3-β-Hydroxypregna-5,16-dien-20-on

16-Dehydropregnenolone

HCID 92871
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Grundinformationen

CAS
1162-53-4
Standard-SMILES
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
YLFRRPUBVUAHSR-RRPFGEQOSA-N
Summenformel
C21H30O2
Durchschnittliche Molmasse
314,5 g/mol
Monoisotopische Masse
314,2245802

Überblick

16,17-didehydropregnenolone is a 3beta-hydroxy-5-steroid that is pregnenolone with a double bond between positions 16 and 17. It is a 3beta-hydroxy-Delta(5)-steroid, a 20-oxo steroid and an enone. It is functionally related to a pregnenolone.

Namen und Bezeichner

Bevorzugter Name
16-Dehydropregnenolone
IUPAC
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Lokaler Name
3-β-Hydroxypregna-5,16-dien-20-on
Englischer Name
16-Dehydropregnenolone
Summenformel
C21H30O2
Molmasse
314.46

Namen und Synonyme

16-Dehydropregnenolone1162-53-416-Dehydropregnolone3beta-Hydroxypregna-5,16-dien-20-one16,17-Didehydropregnenolonedelta16-Pregnenolone(-)-PregnadienoloneDelta(16)-pregnenolonePregna-5,16-dien-20-one, 3-hydroxy-, (3beta)-(3beta)-3-hydroxypregna-5,16-dien-20-one5,16-Pregnadien-3beta-ol-20-oneNSC-15467
Weitere Namen anzeigen
16-DPA5,16-PREGNADIEN-3B-ACETOXY-20-ONEDPA16-biseneolonePregnadienoloneDon't progesteroneDehydropregnenoloneAllopregnanolone-001
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone7349506P5SCHEBI:27486DTXSID401016789Pregna-5,16-dien-20-one, 3beta-hydroxy-1-((3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanoneRefChem:78964DTXCID801474987

Datenbank-Bezeichner

CAS
1162-53-4
PubChem CID
92871
DTXSID
DTXSID401016789
ChEBI
CHEBI:27486
UNII
7349506P5S
EC Number
214-602-8
Nikkaji
J22.717J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
23

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
212 · 212-214 °C
Siedepunkt
456.6 · 456.6±45.0 °C(Predicted)
Dichte
1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
pka
14.7 · 14.70±0.70(Predicted)

Chemie und Industrie

Anwendungen

Verwenden16-Dehydropregnolone is a novel antihyperlipidemic agent. It can be used in chemotherapeutic drug development.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter61 Anbieter

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海科骊科生物技术有限公司021-34975789 18721102763
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 16,17-didehydropregnenolone is a 3beta-hydroxy-Delta(5)-steroid that is pregnenolone with a double bond between positions 16 and 17. It is a 20-oxo steroid, an enone and a 3beta-hydroxy-Delta(5)-steroid. It is functionally related to a pregnenolone.

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