11,17-Dihydroxy-21-[(1-Oxooctyl)Oxy]-(11B)-Pregn-4-Ene-3,20-Dione
[CAS# 6678-14-4]

Identification

• Name: 11,17-Dihydroxy-21-[(1-Oxooctyl)Oxy]-(11B)-Pregn-4-Ene-3,20-Dione
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Octanoate; Octanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Caprylic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₉H₄₄O₆
• Molecular Weight: 488.66
• CAS Registry Number: 6678-14-4
• EINECS: 229-717-9
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCCC)C
• InChI: 1S/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1
• InChIKey: VWVPRYMOFYIOOZ-KAQKJVHQSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 632.044°C at 760 mmHg (Cal.)
• Flash point: 201.397°C (Cal.)