alpha-Sitosterol
[CAS# 474-40-8]

Identification

• Name: alpha-Sitosterol
• Synonyms: (3S,4S,5S,9R,10S,13R,14R,17R)-17-[(Z)-4-Isopropyl-1-Methyl-Hex-4-Enyl]-4,10,13-Trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,4S,5S,9R,10S,13R,14R,17R)-17-[(Z)-4-Isopropyl-1-Methylhex-4-Enyl]-4,10,13-Trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Stigmasta-7,24(28)-Dien-3-Ol, 4-Methyl-, (3Beta,4Alpha,5Alpha,24Z)-
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 474-40-8
• SMILES: [C@]12([C@@H]4C(=CC[C@H]1[C@@H]([C@@H](O)CC2)C)[C@H]3[C@]([C@@H](C(CC/C(=C/C)C(C)C)C)CC3)(C)CC4)C
• InChI: 1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20?,21-,24+,25-,26-,27-,28-,29+,30-/m0/s1
• InChIKey: LPZCCMIISIBREI-LMIGCCGUSA-N

Properties

• Density: 0.984g/cm³ (Cal.)
• Boiling point: 510.834°C at 760 mmHg (Cal.)
• Flash point: 224.595°C (Cal.)