3beta,5alpha,6beta-Trihydroxycholestane 胆甾烷-3,5,6-三醇

CAS 1253-84-5 MFCD00021171

化学结构图

1253-84-5
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC27H48O3
Mol. Weight420.67
Melting Point226-231 °C
Boiling Point515.7±40.0 °C at 760 mmHg

别名和识别编码

Chemical Name3β,5α,6β-Trihydroxycholestane
CAS Number1253-84-5
Synonym 3β,5α,6β-Trihydroxycholestane {LY} 3β,5α,6β-Trihydroxycholestane 5alpha-cholestane-3beta,5,6beta-triol cholestane-3 beta,5 alpha,6 beta-triol cholestane-3,5,6-triol cholestane-3,5,6-triol, (3beta)-isomer cholestane-3,5,6-triol, (3beta, 5alpha, 6alpha)-isomer cholestane-3,5,6-triol, (3beta, 5alpha, 6beta)-isomer cholestane-3,5,6-triol, (3beta, 5beta, 6beta)-isomer cholestane-3,5,6-triol, (3beta, 6beta)-isomer {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {} {} {} {} {LY} 3β,5α,6β-Trihydroxycholestane {} {} {} {} {} {} {} {} {} {} {L
MDL NumberMFCD03935555
Chemical Name Translation胆甾烷-3,5,6-三醇
Wiswesser Line NotationL E5 B666TJ A1 E1 FY1&3Y1&1 LQ MQ OQ
LabNetwork Molecule IDLN01300613
PubChem Substance ID91498
InChIInChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
Canonical SMILESO[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)[C@@]2(O)C1
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分类

  • Aliphatics

产品应用

  • Cholesterol analog. Useful for treatment of hyperlipemia, arteriosclerosis, diabetes, obesity.

相关文献及参考

  • Watson, K., et al.: J. Clin. Invest., 93, 2106 (1994

安全信息

WGK Germany1
RTECSFZ6275000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 17,340,1967

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 17,340,1967

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 12 umol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   24,1103,1986

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 1100 ug/L
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 9,177,1981

Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements

系列性分类

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