2-[[(10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetic Acid
[CAS# 73489-89-1]

Identification

• Name: 2-[[(10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Ylidene]Amino]Oxyacetic Acid
• Synonyms: 2-[[(10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyacetic Acid; 2-[[(10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Ylidene]Amino]Oxyethanoic Acid; 4-Cholesten-3-(O-Carboxymethyl)Oxime
• Molecular Formula: C₂₉H₄₇NO₃
• Molecular Weight: 457.70
• CAS Registry Number: 73489-89-1
• SMILES: [C@]14([C@H](CCC1C3C([C@@]2(C(=CC(=N/OCC(=O)O)\CC2)CC3)C)CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C29H47NO3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-33-18-27(31)32)13-15-28(21,4)26(23)14-16-29(24,25)5/h17,19-20,23-26H,6-16,18H2,1-5H3,(H,31,32)/b30-22-/t20-,23?,24-,25?,26?,28+,29-/m1/s1
• InChIKey: JXSUYFPWFKJTNF-TXSSENGPSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 563.251°C at 760 mmHg (Cal.)
• Flash point: 294.444°C (Cal.)