11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Palmitate
[CAS# 54267-10-6]

Identification

• Name: 11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Palmitate
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexadecanoate; Hexadecanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Palmitic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₇H₅₈O₆
• Molecular Weight: 598.86
• CAS Registry Number: 54267-10-6
• EINECS: 259-051-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCCCCCCCCCCC)C
• InChI: 1S/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-31,34,39,42H,4-19,21,23,25-26H2,1-3H3/t29-,30-,31-,34+,35-,36-,37-/m0/s1
• InChIKey: YNVPFGZVMSQKIC-CUUJIVLRSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 707.2°C at 760 mmHg (Cal.)
• Flash point: 211.052°C (Cal.)