(3S,5S,9R,10S,13R,15S,17R)-14-(Hydroxymethyl)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,15-Diol
[CAS# 75039-75-7]

Identification

• Name: (3S,5S,9R,10S,13R,15S,17R)-14-(Hydroxymethyl)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,3,4,5,6,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,15-Diol
• Synonyms: (3S,5S,9R,10S,13R,15S,17R)-17-[(1R)-1,5-Dimethylhexyl]-14-(Hydroxymethyl)-10,13-Dimethyl-1,2,3,4,5,6,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,15-Diol; (3S,5S,9R,10S,13R,15S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-14-Methylol-1,2,3,4,5,6,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,15-Diol; 14-Hydroxymethylcholest-7-Ene-3,15-Diol
• Molecular Formula: C₂₈H₄₈O₃
• Molecular Weight: 432.69
• CAS Registry Number: 75039-75-7
• SMILES: [C@]24(C(C1=CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)([C@@H](O)C[C@@H]4[C@@H](CCCC(C)C)C)CO)C
• InChI: 1S/C28H48O3/c1-18(2)7-6-8-19(3)24-16-25(31)28(17-29)23-10-9-20-15-21(30)11-13-26(20,4)22(23)12-14-27(24,28)5/h10,18-22,24-25,29-31H,6-9,11-17H2,1-5H3/t19-,20+,21+,22+,24-,25+,26+,27-,28?/m1/s1
• InChIKey: BLMNGVQLHSBJCS-YACOMCNQSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 553.827°C at 760 mmHg (Cal.)
• Flash point: 229.91°C (Cal.)