(3beta)-Cholest-5-En-3-Yl Stearate
[CAS# 1184-05-0]

Identification

• Name: (3beta)-Cholest-5-En-3-Yl Stearate
• Synonyms: 14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl octadecanoate
• Molecular Formula: C₄₅H₈₀O₂
• Molecular Weight: 653.12
• CAS Registry Number: 1184-05-0
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
• InChI: 1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
• InChIKey: XHRPOTDGOASDJS-XNTGVSEISA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 79-81°C (Expl.)
• Boiling point: 671.7±34.0°C at 760 mmHg (Cal.)
• Flash point: 360.6±13.2°C (Cal.)
• Refractive index: 1.505 (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Giuseppe Paglia, Oceania D'Apolito, Monica Gelzo, Antonio Dello Russo and Gaetano Corso. Direct analysis of sterols from dried plasma/blood spots by an atmospheric pressure thermal desorption chemical ionization mass spectrometry (APTDCI-MS) method for a rapid screening of Smith–Lemli–Opitz syndrome, Analyst, 2010, 135, 789.