(17S)-21-(Iodoacetoxy)-17-Hydroxypregn-4-Ene-3,20-Dione
[CAS# 27953-64-6]

Identification

• Name: (17S)-21-(Iodoacetoxy)-17-Hydroxypregn-4-Ene-3,20-Dione
• Synonyms: [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-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-Iodoacetate; 2-Iodoacetic Acid [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-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-Iodoacetic Acid [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-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: C₂₃H₃₁IO₅
• Molecular Weight: 514.40
• CAS Registry Number: 27953-64-6
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)COC(=O)CI)C
• InChI: 1S/C23H31IO5/c1-21-8-5-15(25)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,28)19(26)13-29-20(27)12-24/h11,16-18,28H,3-10,12-13H2,1-2H3/t16-,17+,18+,21+,22+,23+/m1/s1
• InChIKey: PVHZKZWSFLQBEH-BZRUYPMDSA-N

Properties

• Density: 1.508g/cm³ (Cal.)
• Boiling point: 602.863°C at 760 mmHg (Cal.)
• Flash point: 318.4°C (Cal.)