1253-84-5

Name CHOLESTANE-3B,5A,6B-TRIOL
CAS 1253-84-5
Molecular Formula C27H48O3
MDL Number MFCD00021171
Molecular Weight 420.668
MOL File 1253-84-5.mol
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Chemical Properties

Melting point  226-231°C
Boiling point  515.7±40.0 °C(Predicted)
density  1.065±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Methanol (Slightly)
form  Solid
pka 14.26±0.70(Predicted)
color  White to Off-White
InChIKey YMMFNKXZULYSOQ-RUXQDQFYSA-N
SMILES O[C@]21[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)C[C@H]2O)(CC[C@@H](C1)O)C

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  1
RTECS  FZ6275000
Storage Class 11 - Combustible Solids
Toxicity
mouse,LD50,intraperitoneal,130mg/kg (130mg/kg),BEHAVIORAL: MUSCLE WEAKNESSGASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA",Japanese Journal of Pharmacology. Vol. 17, Pg. 340, 1967.

Hazard Information

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