Beta-Sitosterol

• Synonyms: Cinchol
• IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• Molecular Weight: 414.72
• Molecular Formula: C29H50O
• SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
• InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
• InChI Key: KZJWDPNRJALLNS-VJSFXXLFSA-N
• Boiling Point: 473.52 °C
• Melting Point: 136-140 °C(lit.)
• Flash Point: 220.4°C
• Purity: 98%
• Density: 0.9540 g/cm³
• Solubility: Insoluble in water
• Appearance: White solid
• Storage: 2-8 °C
• Exact Mass: 414.386166214
• Physical State: Solid
• pKa: 15.03±0.70(Predicted)
• Refractive Index: 1.5000
• Subcategory: Plant Sterols