Cas no 147900-22-9 (Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI))

Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI) structure
147900-22-9 structure
Product Name:Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI)
CAS No:147900-22-9
MF:C23H26O5
MW:382.449547290802
CID:147879
PubChem ID:10317756
Update Time:2025-04-19

Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI)
    • 1-[(8R,9S,10S,13S,14S)-13-methyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-10-yl]prop-2-ynyl acetate
    • 19-Ethynyl-19-acetoxyandrost-4-ene-3,6,17-trione
    • 19-Ethynyl-19-acetoxy-AT
    • Estr-4-ene-3,6,17-trione, 10-(1-(acetyloxy)-2-propynyl)-, (10(S))-
    • CHEMBL3754543
    • 147900-22-9
    • [(1S)-1-[(8R,9S,10S,13S,14S)-13-methyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-10-yl]prop-2-ynyl] acetate
    • Inchi： 1S/C23H26O5/c1-4-21(28-13(2)24)23-10-7-14(25)11-18(23)19(26)12-15-16-5-6-20(27)22(16,3)9-8-17(15)23/h1,11,15-17,21H,5-10,12H2,2-3H3/t15-,16-,17-,21-,22-,23-/m0/s1
    • InChI Key： OTBPDDRBTVTJBK-BGHDJBMGSA-N
    • SMILES： O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3([C@H](C#C)OC(C)=O)CCC(C=C3C(C[C@H]12)=O)=O

Computed Properties

  • Exact Mass: 382.17808
  • Monoisotopic Mass: 382.17802393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 858
  • 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: 1.6
  • Topological Polar Surface Area: 77.5?2

Experimental Properties

  • Density: 1.24
  • Boiling Point: 555.7°C at 760 mmHg
  • Flash Point: 241.9°C
  • Refractive Index: 1.567
  • PSA: 77.51

Estr-4-ene-3,6,17-trione,10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI) Related Literature

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