(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
[CAS# 107655-65-2]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 107655-65-2
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(O)(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23?,24+,26+,27-/m1/s1
• InChIKey: BQMSKLCEWBSPPY-BXGICBJUSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 548.471°C at 760 mmHg (Cal.)
• Flash point: 230.511°C (Cal.)