5alpha-Cholestan-3-one

HCID 92128
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Grundinformationen

CAS
566-88-1
Standard-SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
PESKGJQREUXSRR-UXIWKSIVSA-N
Summenformel
C27H46O
Durchschnittliche Molmasse
386,7 g/mol
Monoisotopische Masse
386,35486609

Überblick

5alpha-cholestan-3-one is a 3-oxo-5alpha- steroid that is 5alpha-cholestane substituted by an oxo group at position 3. It has a role as a mammalian metabolite. It is a 3-oxo-5alpha-steroid and a 3-oxocholestane. It derives from a hydride of a 5alpha-cholestane.

Namen und Bezeichner

Bevorzugter Name
5alpha-Cholestan-3-one
IUPAC
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Englischer Name
5alpha-Cholestan-3-one
Summenformel
C27H46O
Molmasse
386.65

Namen und Synonyme

5alpha-Cholestan-3-one566-88-15alpha-Cholestanone(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneCHEBI:17762DTXSID001016294(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-oneRefChem:1073377DTXCID2015060515A-Cholestan-3-one5|A-Cholestan-3-one5alpha-Cholestane-3-one
Weitere Namen anzeigen
CHOLESTANONE5α-Cholestan-3-one5αZK-460235α-Cholestanone-Cholestan-3-one5à-cholestan-3-oneCHOLESTAN-3-ONE(RG)
(5alpha)-Cholestan-3-one(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneCholestan-3-one5-a-Cholestan-3-one3-Keto-5alpha-cholestane5-alpha-Cholestan-3-oneMFCD00065901Cholestan-3-one, (5a)-

Datenbank-Bezeichner

CAS
566-88-1
PubChem CID
92128
DTXSID
DTXSID001016294
ChEMBL
CHEMBL69941
ChEBI
CHEBI:17762
Nikkaji
J149.976I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,9
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
5
Schwere Atome
28

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point128 - 130 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
128 · 128-133 °C
Siedepunkt
452.9 · 452.9±13.0 °C(Predicted)
Dichte
0.953 · 0.953
storage temp.
Refrigerator
Löslichkeit
Chloroform (Sparingly)
Aggregatzustand
crystalline

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Anwendungen

VerwendenIt is employed as a intermediate for organic synthesis.

Vor- und nachgelagerte Produkte

Anbieter43 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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