1059-14-9

Name Taraxasterol
CAS 1059-14-9
Molecular Formula C30H50O
MDL Number MFCD04039802
Molecular Weight 426.72
MOL File 1059-14-9.mol
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Chemical Properties

Melting point  221-222°
alpha  D +96.3° (CHCl3)
Boiling point  488.2±14.0 °C(Predicted)
density  1.00±0.1 g/cm3(Predicted)
solubility  Ethanol : 5.5 mg/mL (12.89 mM; ultrasonic and warming and heat to 50°C)DMSO : 1 mg/mL (2.34 mM; ultrasonic and heat to 80°C)
form  powder
pka 15.19±0.70(Predicted)
color  White
InChIKey XWMMEBCFHUKHEX-BUKJBVNQNA-N
SMILES O[C@H]1CC[C@@]2([C@]3(CC[C@@]4([C@]5([C@@H](C(=C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C1(C)C)C)[H])[H])[H])C |&1:1,4,5,8,9,10,15,19,21,25,r|

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