Cas no 70141-41-2 (Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI))

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI) structure
70141-41-2 structure
Product Name:Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI)
CAS No:70141-41-2
MF:C27H38F2O6
MW:496.583836078644
CID:574553
PubChem ID:56841532
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI)
    • [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
    • 6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methylpregn-4-ene-3,20-dione 21-pivalate
    • [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate
    • NS00061341
    • 70141-41-2
    • DTXSID30220416
    • EINECS 274-334-2
    • Inchi： 1S/C27H38F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h10,14,16-17,19-20,31,34H,7-9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1
    • InChI Key： QBXIYKBVNIQEKQ-OJAGFMMFSA-N
    • SMILES： F[C@@]12[C@@]3(C)CCC(C=C3[C@H](C[C@H]1[C@@H]1C[C@@H](C)[C@](C(COC(C(C)(C)C)=O)=O)([C@@]1(C)C[C@@H]2O)O)F)=O

Computed Properties

  • Exact Mass: 496.26364525g/mol
  • Monoisotopic Mass: 496.26364525g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 5
  • Complexity: 987
  • 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: 3.7
  • Topological Polar Surface Area: 101?2

Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI) Related Literature

70141-41-2 (Pregn-4-ene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)- (9CI)) Related Products

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