7-Hydroxycholesterol-3-Stearate
[CAS# 26108-71-4]

Identification

• Name: 7-Hydroxycholesterol-3-Stearate
• Synonyms: [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Octadecanoate; Octadecanoic Acid [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Stearic Acid [(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₄₅H₈₀O₃
• Molecular Weight: 669.13
• CAS Registry Number: 26108-71-4
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC4)C)C
• InChI: 1S/C45H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-37-28-30-44(5)36(32-37)33-41(46)43-39-27-26-38(35(4)24-22-23-34(2)3)45(39,6)31-29-40(43)44/h33-35,37-41,43,46H,7-32H2,1-6H3/t35-,37+,38-,39+,40+,41-,43+,44+,45-/m1/s1
• InChIKey: TZCPWCWBUUWOBB-LQLPOJMZSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 696.911°C at 760 mmHg (Cal.)
• Flash point: 237.58°C (Cal.)