5beta,6beta-Epoxycholesterol

HCID 108109
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Grundinformationen

CAS
4025-59-6
Standard-SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
InChIKey
PRYIJAGAEJZDBO-DTLXENBRSA-N
Summenformel
C27H46O2
Durchschnittliche Molmasse
402,7 g/mol
Monoisotopische Masse
402,34978071

Überblick

Cholesterol beta-epoxide is 5,6beta-epoxy-5beta-cholestan-3beta-ol. It derives from a hydride of a 5beta-cholestane.

Namen und Bezeichner

Bevorzugter Name
5beta,6beta-Epoxycholesterol
IUPAC
(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
Englischer Name
5BETA,6BETA-EPOXYCHOLESTAN-3BETA-OL
Summenformel
C27H46O2
Molmasse
402.65

Namen und Synonyme

4025-59-6Cholesterol beta-epoxide5beta,6beta-Epoxycholestan-3beta-olPFD65A4X36(3-beta,5-beta,6-beta)-5,6-Epoxycholestan-3-olCHEBI:28164DTXSID501314152Cholestan-3-ol, 5,6-epoxy-, (3beta,5beta,6beta)-NSC-1489405Beta,6Beta-EpoxycholesterolRefChem:913601DTXCID901743967
Weitere Namen anzeigen
β-EpoxycholesterolBETA-EPOXYCHOLESTEROLCholesteryl β-Epoxidecholesterolbeta-epoxide5-BETA-EPOXYCHOLESTEROL5β,6β-epoxy Cholestanolcholesterol-5B,6B-epoxideCHOLESTERYL -BETA-EPOXIDECholestan-5β,6β-epoxy-3β-ol
Cholesterol 5beta,6beta-epoxideCholesterol-5beta,6beta-epoxide5,6beta-epoxy-5beta-cholestan-3beta-ol5beta,6beta-epoxy-cholestanol5beta,6beta-epoxy-cholesterol(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol(3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol5beta,6beta-epoxy-cholestan-3beta-ol

Datenbank-Bezeichner

CAS
4025-59-6
PubChem CID
108109
DTXSID
DTXSID501314152
ChEMBL
CHEMBL497439
ChEBI
CHEBI:28164
UNII
PFD65A4X36
Nikkaji
J362.555I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8
Polarare Oberfläche (TPSA)
32,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
29

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]

Physikochemische Eigenschaften

storage temp.
room temp
Löslichkeit
2 mg/ml; · DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
Aggregatzustand
A crystalline solid
Farbe
White to off-white
InChI
1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3
InChIKey
PRYIJAGAEJZDBO-UHFFFAOYSA-N

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
1
RTECS-Nr.
FZ6380000
risk_code
20/21/22-48/20/21/22-68/20/21/22
hazard_code
Xn
safety_code
7-36/37
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenCholesterol 5beta,6beta-epoxide is an oxysterol produced as an oxidation product of cholesterol.

Anbieter19 Anbieter

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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