Cas no 1769-67-1 (Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)-)

Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)- structure
1769-67-1 structure
Product Name:Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)-
CAS No:1769-67-1
MF:C24H36O3
MW:372.54084777832
CID:118064
PubChem ID:22296084
Update Time:2025-04-18

Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)- Chemical and Physical Properties

Names and Identifiers

    • Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)-
    • 5-PREGNEN-16-BETA-METHYL-3-BETA-OL-20-ONE ACETATE
    • 16BETA-METHYLPREGNENOLONE ACETATE
    • 1769-67-1
    • Pregn-5-en-20-one, 3-(acetyloxy)-16-methyl-, (3.beta.,16.beta.)-
    • SFNSGHUMGYWJGF-SHQMNJCLSA-N
    • 3b-acetoxy-16b-methyl-5-pregnen-20-one
    • Pregn-5-en-20-one, 3beta-hydroxy-16beta-methyl-, acetate
    • [(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • Pregn-5-en-20-one, 3.beta.-hydroxy-16.beta.-methyl-, acetate
    • 16-Methyl-20-oxopregn-5-en-3-yl acetate #
    • Inchi： 1S/C24H36O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,14,18-22H,7-13H2,1-5H3/t14-,18-,19+,20-,21-,22+,23-,24-/m0/s1
    • InChI Key： SFNSGHUMGYWJGF-SHQMNJCLSA-N
    • SMILES： O=C(C)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)OC(C)=O

Computed Properties

  • Exact Mass: 372.26658
  • Monoisotopic Mass: 372.26644501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 679
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Pregn-5-en-20-one,3-(acetyloxy)-16-methyl-, (3b,16b)- Related Literature

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