(10,13-Dimethyl-17-Octan-2-Yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl) 4-Methylbenzenesulfonate
[CAS# 3381-52-0]

Identification

• Name: (10,13-Dimethyl-17-Octan-2-Yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl) 4-Methylbenzenesulfonate
• Synonyms: [10,13-Dimethyl-17-(1-Methylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonic Acid [10,13-Dimethyl-17-(1-Methylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Cholestane, 3.Beta-(Tosyloxy)-5.Alpha-
• Molecular Formula: C₃₄H₅₄O₃S
• Molecular Weight: 542.86
• CAS Registry Number: 3381-52-0
• SMILES: C1=CC(=CC=C1[S](=O)(=O)OC5CC4CCC3C2CCC(C2(CCC3C4(CC5)C)C)C(CCCCCC)C)C
• InChI: 1S/C34H54O3S/c1-6-7-8-9-10-25(3)30-17-18-31-29-16-13-26-23-27(37-38(35,36)28-14-11-24(2)12-15-28)19-21-33(26,4)32(29)20-22-34(30,31)5/h11-12,14-15,25-27,29-32H,6-10,13,16-23H2,1-5H3
• InChIKey: SHPWNZWDOCUGBB-UHFFFAOYSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 613.489°C at 760 mmHg (Cal.)
• Flash point: 324.827°C (Cal.)