(3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-Dimethylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,15-Diol
[CAS# 126291-46-1]

Identification

• Name: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-Dimethylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,15-Diol
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-Dimethyl-17-[(1R,4S)-1,4,5-Trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,15-Diol; 5Alpha,14Beta-Ergostane-3Beta,15Beta-Diol; 5Alpha-Ergostane-3Beta,15Alpha-Diol
• Molecular Formula: C₂₈H₅₀O₂
• Molecular Weight: 418.70
• CAS Registry Number: 126291-46-1
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2[C@H](C[C@H]([C@@H](CC[C@H](C)C(C)C)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C28H50O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,26+,27-,28+/m0/s1
• InChIKey: VMNBOLDGMBVGNQ-NAZNOAFGSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 511.764°C at 760 mmHg (Cal.)
• Flash point: 208.46°C (Cal.)