Cas no 98573-84-3 (Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl- (9CI))

Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl- (9CI) structure
98573-84-3 structure
Product Name:Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl- (9CI)
CAS No:98573-84-3
MF:C24H30O5
MW:398.492007732391
CID:6635301
Update Time:2024-01-04

Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl- (9CI)
    • Inchi: 1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14?,18-,20+,22+,23+,24+/m1/s1
    • InChI Key: AAPZMQVULRVUEU-DFXGZDHJSA-N
    • SMILES: C1(=O)C=C2[C@](C)(C=C1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)[C@@](O)(C(=O)COC(C)=O)C(C)C3)CC2

Experimental Properties

  • Density: 1.22±0.1 g/cm3(Predicted)
  • Boiling Point: 560.0±50.0 °C(Predicted)
  • pka: 12.48±0.70(Predicted)

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