Cas no 19890-58-5 (5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI))

5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI) structure
19890-58-5 structure
Product Name:5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI)
CAS No:19890-58-5
MF:C24H34O3
MW:370.524967670441
CID:123825
PubChem ID:57375506
Update Time:2025-04-18

5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • 5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI)
    • 3-Hydroxy-16-methylpregna-9(11),16-dien-20-one 3-acetate
    • [(8S,10S,13S,14S)-17-acetyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • 3-Acetyloxy-16-methylpregna-9(11),16-dien-20-one
    • 19890-58-5
    • 16-Methyl-20-oxopregna-9(11),16-dien-3-yl acetate
    • DTXSID20724953
    • Inchi： 1S/C24H34O3/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/h9,17-19,21H,6-8,10-13H2,1-5H3/t17?,18?,19-,21+,23+,24+/m1/s1
    • InChI Key： PPEIBJONECDUEC-VKPINXBMSA-N
    • SMILES： O(C(C)=O)C1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=C(C)C[C@H]4[C@@H]3CCC2C1

Computed Properties

  • Exact Mass: 370.25079494g/mol
  • Monoisotopic Mass: 370.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 745
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 43.4?2

5a-Pregna-9(11),16-dien-20-one, 3b-hydroxy-16-methyl-, acetate(7CI,8CI) Related Literature

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