4-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]Butanoic Acid
[CAS# 156908-81-5]

Identification

• Name: 4-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]Butanoic Acid
• Synonyms: 4-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Butanoic Acid; 4-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Butyric Acid; 4-(((3Beta)-Cholest-5-En-3-Yl)Oxy)Butanoic Acid
• Molecular Formula: C₃₁H₅₂O₃
• Molecular Weight: 472.75
• CAS Registry Number: 156908-81-5
• SMILES: [C@]14([C@H](CCC1C2C([C@@]3(C(=CC2)C[C@@H](OCCCC(=O)O)CC3)C)CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C31H52O3/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(34-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3,(H,32,33)/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
• InChIKey: CRDNCPAYGSTGQR-PHZPAERESA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 575.567°C at 760 mmHg (Cal.)
• Flash point: 175.749°C (Cal.)