Cas no 1424-09-5 (Pregn-4-ene-3,20-dione,16-methyl-, (16b)-)

Pregn-4-ene-3,20-dione,16-methyl-, (16b)- structure
1424-09-5 structure
Product Name:Pregn-4-ene-3,20-dione,16-methyl-, (16b)-
CAS No:1424-09-5
MF:C22H32O2
MW:328.488286972046
CID:196843
PubChem ID:11954141
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,16-methyl-, (16b)- Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,16-methyl-, (16b)-
    • 16-BETA-METHYL-4-PREGNEN-3,20-DIONE
    • 16-β-METHYL-4-PREGNEN-3,20-DIONE
    • 16beta-methylpregn-4-ene-3,20-dione
    • 16BETA-METHYLPROGESTERONE
    • Nsc43115
    • Pregn-4-ene-3,20-dione, 16.beta.-methyl-
    • Pregn-4-ene-3,20-dione, 16-methyl-, (16.beta.)-
    • Q27148900
    • NSC 43115
    • 1424-09-5
    • O94MU16592
    • NSC-43115
    • 16.BETA.-METHYL-4-PREGNENE-3,20-DIONE
    • 16.beta.-Methylpregn-4-ene-3,20-dione #
    • UNII-O94MU16592
    • JYYRDDFNMDZIIP-HQJDTPGISA-N
    • CHEBI:79767
    • (8S,9S,10R,13S,14S,16S,17S)-17-acetyl-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • 16.beta.-Methylprogesterone
    • SCHEMBL5572178
    • Inchi： 1S/C22H32O2/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/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1
    • InChI Key： JYYRDDFNMDZIIP-HQJDTPGISA-N
    • SMILES： O=C(C)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 328.24000
  • Monoisotopic Mass: 328.240230259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 618
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14000
  • LogP: 4.96950

Pregn-4-ene-3,20-dione,16-methyl-, (16b)- Related Literature

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