11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Undecanoate
[CAS# 6678-18-8]

Identification

• Name: 11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Undecanoate
• 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] Undecanoate; Undecanoic 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; Undecanoic 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: C₃₂H₅₀O₆
• Molecular Weight: 530.74
• CAS Registry Number: 6678-18-8
• EINECS: 229-720-5
• 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)CCCCCCCCCC)C
• InChI: 1S/C32H50O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h19,24-26,29,34,37H,4-18,20-21H2,1-3H3/t24-,25-,26-,29+,30-,31-,32-/m0/s1
• InChIKey: VAJJLACDNGPVDR-RXBLAQSTSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 659.985°C at 760 mmHg (Cal.)
• Flash point: 204.505°C (Cal.)