11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Methanesulphonate
[CAS# 6677-96-9]

Identification

• Name: 11beta,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Methanesulphonate
• 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] Methanesulfonate; Methanesulfonic 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; Methanesulfonic 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: C₂₂H₃₂O₇S
• Molecular Weight: 440.55
• CAS Registry Number: 6677-96-9
• EINECS: 229-714-2
• 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)CO[S](=O)(=O)C)C
• InChI: 1S/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1
• InChIKey: AFMXNPUMXZCVGU-CWNVBEKCSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 651.665°C at 760 mmHg (Cal.)
• Flash point: 347.915°C (Cal.)