21-Isopentylcholesterol
[CAS# 81919-09-7]

Identification

• Name: 21-Isopentylcholesterol
• Synonyms: (3S,8R,9S,10S,13R,14S,17R)-17-(1-Isohexyl-5-Methyl-Hexyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8R,9S,10S,13R,14S,17R)-17-(1-Isohexyl-5-Methylhexyl)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 21-Isopentylcholesterol
• Molecular Formula: C₃₂H₅₈O
• Molecular Weight: 458.81
• CAS Registry Number: 81919-09-7
• SMILES: [C@@H]1(CC[C@]3(C(C1)CC[C@H]4[C@@H]2CC[C@H](C(CCCC(C)C)CCCC(C)C)[C@@]2(C)CC[C@H]34)C)O
• InChI: 1S/C32H58O/c1-22(2)9-7-11-24(12-8-10-23(3)4)28-15-16-29-27-14-13-25-21-26(33)17-19-31(25,5)30(27)18-20-32(28,29)6/h22-30,33H,7-21H2,1-6H3/t25?,26-,27-,28+,29-,30-,31-,32+/m0/s1
• InChIKey: WWGBFFHMTDVNCC-ZTQNUJFHSA-N

Properties

• Density: 0.938g/cm³ (Cal.)
• Boiling point: 502.576°C at 760 mmHg (Cal.)
• Flash point: 208.906°C (Cal.)