(3alpha)-Cholest-5-En-3-Yl (3beta)-Cholest-5-En-3-Yl Sulfite
[CAS# 50736-01-1]

Identification

• Name: (3alpha)-Cholest-5-En-3-Yl (3beta)-Cholest-5-En-3-Yl Sulfite
• Synonyms: DI-(5-CHOLESTEN-3β-OL)3,3-SULFITE
• Molecular Formula: C₅₄H₉₀O₃S
• Molecular Weight: 819.36
• CAS Registry Number: 50736-01-1
• SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)O[C@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7CC=C6C5)CC[C@@H]8[C@H](C)CCCC(C)C)C)C)C)C
• InChI: 1S/C54H90O3S/c1-35(2)13-11-15-37(5)45-21-23-47-43-19-17-39-33-41(25-29-51(39,7)49(43)27-31-53(45,47)9)56-58(55)57-42-26-30-52(8)40(34-42)18-20-44-48-24-22-46(38(6)16-12-14-36(3)4)54(48,10)32-28-50(44)52/h17-18,35-38,41-50H,11-16,19-34H2,1-10H3/t37-,38-,41-,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54-,58?/m1/s1
• InChIKey: HLGNAFRHPNDEGO-AALSGQLESA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 784.8±40.0°C at 760 mmHg (Cal.)
• Flash point: 428.5±27.3°C (Cal.)