Cas no 96843-92-4 (4-pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate)

4-pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate structure
96843-92-4 structure
Product Name:4-pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate
CAS No:96843-92-4
MF:C23H30O6
MW:402.480707645416
CID:860748
Update Time:2024-02-01

4-pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate Chemical and Physical Properties

Names and Identifiers

    • 4-pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate
    • 17α-Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate (7CI)
    • Inchi： 1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
    • InChI Key： ITRJWOMZKQRYTA-RFZYENFJSA-N
    • SMILES： C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)COC(=O)C)CC3)CC2

Experimental Properties

  • Density: 1.26±0.1 g/cm3(Predicted)
  • Melting Point: 235-238 °C(Solv: acetone (67-64-1))
  • Boiling Point: 577.3±50.0 °C(Predicted)
  • pka: 12.32±0.60(Predicted)

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