Cas no 3932-49-8 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI))

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI) structure
3932-49-8 structure
Product Name:Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI)
CAS No:3932-49-8
MF:C26H34F2O7
MW:496.540775775909
CID:322013
PubChem ID:107477
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI)
    • 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate
    • 6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate
    • 3932-49-8
    • SCHEMBL4734156
    • DTXSID00960039
    • 2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate
    • EINECS 223-503-9
    • Inchi： 1S/C26H34F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h8,15-16,18-19,21,31H,6-7,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
    • InChI Key： LYCTYBOMOJMCRM-IUGZLZTKSA-N
    • SMILES： F[C@@]12[C@@]3(C)CCC(C=C3[C@H](C[C@H]1[C@@H]1C[C@@H]3[C@](C(COC(C)=O)=O)([C@@]1(C)C[C@@H]2O)OC(C)(C)O3)F)=O

Computed Properties

  • Exact Mass: 496.22726
  • Monoisotopic Mass: 496.22726
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 4
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 99.1

Experimental Properties

  • Density: 1.32
  • Boiling Point: 590.3°Cat760mmHg
  • Flash Point: 310.8°C
  • Refractive Index: 1.548

Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI) Related Literature

3932-49-8 (Pregn-4-ene-3,20-dione,21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(6a,11b,16a)- (9CI)) Related Products

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