Cas no 1424-06-2 (17a-Pregna-1,4-diene-3,20-dione(7CI,8CI))

17a-Pregna-1,4-diene-3,20-dione(7CI,8CI) structure
1424-06-2 structure
Product Name:17a-Pregna-1,4-diene-3,20-dione(7CI,8CI)
CAS No:1424-06-2
MF:C21H28O2
MW:312.445826530457
CID:225910
PubChem ID:249336
Update Time:2025-04-19

17a-Pregna-1,4-diene-3,20-dione(7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • 17a-Pregna-1,4-diene-3,20-dione(7CI,8CI)
    • (8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • 1,4-Pregnadien-3,20-dion
    • 1,4-Pregnadien-dion-(3.20)
    • 1.4-Pregnadien-3,20-dion
    • 1.4-Pregnadien-3.20-dion
    • 3.20-Dioxo-pregnadien-(1.4)
    • AC1L6O92
    • AC1Q6ABC
    • AR-1A0598
    • CTK0I2758
    • KST-1A1927
    • NSC67579
    • Pregna-1.4-dien-3.20-dion
    • NSC-67579
    • SCHEMBL11076539
    • DTXSID30290235
    • (17
    • 1424-06-2
    • A)-pregna-1,4-diene-3,20-dione
    • Inchi： 1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21+/m0/s1
    • InChI Key： QIEPWCSVQYUPIY-HXIANDDZSA-N
    • SMILES： O=C(C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 312.20904
  • Monoisotopic Mass: 312.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 628
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 1.1
  • Boiling Point: 449.2°C at 760 mmHg
  • Flash Point: 167.4°C
  • Refractive Index: 1.556
  • PSA: 34.14
  • LogP: 4.49950

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