S-[11beta,17-Dihydroxypregn-4-Ene-3,20-Dione] 21-(Thiopivalate)
[CAS# 55560-96-8]

Identification

• Name: S-[11beta,17-Dihydroxypregn-4-Ene-3,20-Dione] 21-(Thiopivalate)
• Synonyms: S-[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] 2,2-Dimethylpropanethioate; 2,2-Dimethylpropanethioic Acid S-[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; 2,2-Dimethylpropanethioic Acid S-[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: C₂₆H₃₈O₅S
• Molecular Weight: 462.64
• CAS Registry Number: 55560-96-8
• EINECS: 259-706-4
• SMILES: [C@@H]23[C@H]([C@H]1[C@]([C@](C(CSC(C(C)(C)C)=O)=O)(O)CC1)(C)C[C@@H]2O)CCC4=CC(=O)CC[C@]34C
• InChI: 1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
• InChIKey: BISFDZNIUZIKJD-XDANTLIUSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 607.002°C at 760 mmHg (Cal.)
• Flash point: 320.903°C (Cal.)