(3S,5S,8S,9S,10R,13R,14S,17R)-3-Iodo-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]Spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-6,2'-1,3-Dithiolane] 1'-Oxide
[CAS# 133331-36-9]

Identification

• Name: (3S,5S,8S,9S,10R,13R,14S,17R)-3-Iodo-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]Spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-6,2'-1,3-Dithiolane] 1'-Oxide
• Synonyms: (3S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Iodo-10,13-Dimethyl-Spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-6,2'-1,3-Dithiolane] 1'-Oxide; (3S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Iodo-10,13-Dimethylspiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-6,2'-1,3-Dithiolane] 1'-Oxide; 3-Beta-Iodo-6,6-Ethylene-Alpha-Sulfinyl-Beta-Thio-5-Alpha-Cholestane
• Molecular Formula: C₂₉H₄₉IOS₂
• Molecular Weight: 604.73
• CAS Registry Number: 133331-36-9
• SMILES: [C@H]12C[C@H](CC[C@@]1([C@@H]5[C@@H](CC23SCC[S]3=O)[C@@H]4CC[C@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC5)C)I
• InChI: 1S/C29H49IOS2/c1-19(2)7-6-8-20(3)23-9-10-24-22-18-29(32-15-16-33(29)31)26-17-21(30)11-13-28(26,5)25(22)12-14-27(23,24)4/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-,28-,29?,33?/m1/s1
• InChIKey: LSSLSBIZVIBQQG-LVFTYFEDSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 648.078°C at 760 mmHg (Cal.)
• Flash point: 345.746°C (Cal.)