Cas no 16394-71-1 (Pregn-5-en-20-one,3-hydroxy-16-methyl-, (3b,16a)-)

Pregn-5-en-20-one,3-hydroxy-16-methyl-, (3b,16a)- structure
16394-71-1 structure
Product Name:Pregn-5-en-20-one,3-hydroxy-16-methyl-, (3b,16a)-
CAS No:16394-71-1
MF:C22H34O2
MW:330.504167079926
CID:200157
PubChem ID:253135
Update Time:2025-04-19

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

Names and Identifiers

    • Pregn-5-en-20-one,3-hydroxy-16-methyl-, (3b,16a)-
    • 16-ALPHA-METHYLPREGNENOLONE
    • 16-α-METHYLPREGNENOLONE
    • 5-PREGNEN-16A-METHYL-3B-OL-20-ONE
    • 3B-HYDROXY-16A-METHYLPREGN-5-EN-20-ONE
    • Nsc75642
    • 16α-Methyl-3β-hydroxypregn-5-en-20-one
    • 5-PREGNEN-16-ALPHA-METHYL-3-BETA-OL-20-ONE
    • 3.beta.-Hydroxy-16.beta.-methyl-5-pregnen-20-one
    • Pregn-5-en-20-one, 3.beta.-hydroxy-16.alpha.-methyl-
    • Pregn-5-en-20-one, 3-hydroxy-16-methyl-, (3.beta.,16.alpha.)-
    • (3beta,16alpha)-3-Hydroxy-16-methylpregn-5-en-20-one
    • NSC-75642
    • XXSFRYVGIQYVIQ-RDTLVLTASA-N
    • 16.alpha.-Methylpregnenolone
    • 16394-71-1
    • SCHEMBL3995417
    • 3-Hydroxy-16-methylpregn-5-en-20-one #
    • 1-((3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one
    • Pregn-5-en-20-one, 3beta-hydroxy-16alpha-methyl-
    • 3beta-hydroxy-16alpha-methylpregn-5-en-20-one
    • DTXSID201251078
    • 1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    • Inchi： 1S/C22H34O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,13,16-20,24H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1
    • InChI Key： XXSFRYVGIQYVIQ-RDTLVLTASA-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)O

Computed Properties

  • Exact Mass: 330.25600
  • Monoisotopic Mass: 330.255880323g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 579
  • 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: 4.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.76130

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