(3S,5S,9R,10S,13R,14S,17R)-10,13,15-Trimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,9,11,12,14,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,15-Diol
[CAS# 111394-04-8]

Identification

• Name: (3S,5S,9R,10S,13R,14S,17R)-10,13,15-Trimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,9,11,12,14,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,15-Diol
• Synonyms: (3S,5S,9R,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13,15-Trimethyl-1,2,3,4,5,6,9,11,12,14,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,15-Diol; 15-Methylcholest-7-Ene-3,15-Diol; 15Beta-Methyl-5Alpha,14Beta-Cholest-7-Ene-3Beta,15Alpha-Diol
• Molecular Formula: C₂₈H₄₈O₂
• Molecular Weight: 416.69
• CAS Registry Number: 111394-04-8
• SMILES: [C@@H]12[C@@]([C@H](CC1(O)C)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H](O)C4)C)C
• InChI: 1S/C28H48O2/c1-18(2)8-7-9-19(3)24-17-28(6,30)25-22-11-10-20-16-21(29)12-14-26(20,4)23(22)13-15-27(24,25)5/h11,18-21,23-25,29-30H,7-10,12-17H2,1-6H3/t19-,20+,21+,23+,24-,25-,26+,27-,28?/m1/s1
• InChIKey: YEKYBNIATRJFGM-HOFOHDGYSA-N

Properties

• Density: 1.028g/cm³ (Cal.)
• Boiling point: 516.538°C at 760 mmHg (Cal.)
• Flash point: 211.988°C (Cal.)