beta-Sitosterone
[CAS# 51529-11-4]

Identification

• Name: beta-Sitosterone
• Synonyms: (8S,9S,10R,13R,14S)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13R,14S)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13R,14S)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₉H₄₈O
• Molecular Weight: 412.70
• CAS Registry Number: 51529-11-4
• SMILES: [C@H]23[C@H]1[C@@](C(CC1)[C@@H](CC[C@H](C(C)C)CC)C)(CC[C@@H]2[C@@]4(C(=CC3)CC(=O)CC4)C)C
• InChI: 1S/C29H48O/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/h10,19-21,24-27H,7-9,11-18H2,1-6H3/t20-,21-,24+,25?,26+,27+,28+,29-/m1/s1
• InChIKey: KYOFIJXMVNQYFC-VCVIHXEESA-N

Properties

• Density: 0.975g/cm³ (Cal.)
• Boiling point: 498.741°C at 760 mmHg (Cal.)
• Flash point: 208.134°C (Cal.)