(3beta,5alpha,6alpha)-5,6-(Oxycarbonothioylthio)-Cholestan-3-Ol Acetate
[CAS# 133586-85-3]

Identification

• Name: (3beta,5alpha,6alpha)-5,6-(Oxycarbonothioylthio)-Cholestan-3-Ol Acetate
• Synonyms: 3-Acetoxy-5-Cholestano(6,5-D')-1',3'-Oxathiolane-2'-Thione; 3-Beta-Acetoxy-5-Alpha-Cholestano(6A,5D)-1',3'-Oxathiolane-2-Thione; 3Beta-Acetoxy-5Alpha-Cholestano(6Alpha,5-D)',3'-Oxathiolane-2'-Thione
• Molecular Formula: C₃₀H₄₈O₃S₂
• Molecular Weight: 520.83
• CAS Registry Number: 133586-85-3
• SMILES: [C@@H]14CC[C@@H]([C@]1(CC[C@@H]5[C@]2(CC[C@@H](CC23[C@@H](SC(O3)=S)C[C@@H]45)OC(C)=O)C)C)[C@H](C)CCCC(C)C
• InChI: 1S/C30H48O3S2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-30(33-27(34)35-26)17-21(32-20(4)31)12-15-29(30,6)25(22)13-14-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26+,28-,29-,30?/m1/s1
• InChIKey: YETQGIMUNOTFHL-VLTKQWQZSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 577.964°C at 760 mmHg (Cal.)
• Flash point: 303.342°C (Cal.)