Desmosterol
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Grundinformationen
- CAS
313-04-2- Standard-SMILES
CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AVSXSVCZWQODGV-DPAQBDIFSA-N- Summenformel
- C27H44O
- Durchschnittliche Molmasse
- 384,6 g/mol
- Monoisotopische Masse
- 384,33921603
Überblick
Desmosterol is a cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. It has a role as a mouse metabolite and a human metabolite. It is a C27-steroid, a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol and a cholestanoid.
Namen und Bezeichner
- Bevorzugter Name
- Desmosterol
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Namen und Synonyme
DESMOSTEROL313-04-224-Dehydrocholesteroldesmesterolcholest-5,24-dien-3beta-olCholesta-5,24-dien-3-ol, (3beta)-CHEBI:17737DTXSID10878676ANP93865R8(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olNSC-226126Demosterol
Weitere Namen anzeigen
24 Dehydrocholesterol(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:132268DTXCID501016718206-236-2Cholesterol EP Impurity BCholesta-5,24-dien-3-ol3beta-cholesta-5,24-dien-3-ol
Datenbank-Bezeichner
- CAS
313-04-2- PubChem CID
- 439577
- DTXSID
DTXSID10878676- ChEMBL
CHEMBL455876- ChEBI
CHEBI:17737- UNII
- ANP93865R8
- EC Number
- 206-236-2
- Nikkaji
- J5.659F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 8,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 641
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point121.5 °C
Physical DescriptionSolid
Collision Cross Section199.4 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsBrain
Cellular LocationsEndoplasmic reticulum
Metabolite PathwaysAlendronate Action Pathway
Anbieter81 Anbieter
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