beta-Sitosterol acetate
[CAS# 915-05-9]

Identification

• Name: beta-Sitosterol acetate
• Synonyms: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dim
• Molecular Formula: C₃₁H₅₂O₂
• Molecular Weight: 456.75
• CAS Registry Number: 915-05-9
• EINECS: 213-019-6
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)[C@@H](CC[C@H](C(C)C)CC)C)CC=C3C[C@H](CC4)OC(C)=O
• InChI: 1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
• InChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Melting point: 133°C (Expl.)
• Boiling point: 514.521°C at 760 mmHg (Cal.)
• Flash point: 262.111°C (Cal.)