Cas no 84371-57-3 ((5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal;)

(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal; structure
84371-57-3 structure
Product Name:(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal;
CAS No:84371-57-3
MF:C23H30O4
MW:370.481907367706
CID:826860
PubChem ID:10547150
Update Time:2025-04-19

(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal; Chemical and Physical Properties

Names and Identifiers

    • (5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
    • (5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acet
    • (5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediy...
    • 3,3-<1,2-ethylenedioxybis(oxy)>-17α-(1-propynyl)-estra-9(11)-en-5α,10α-epoxy-17β-ol
    • Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5alpha,10alpha,17beta)-
    • SCHEMBL10877775
    • ZINC04073589
    • DTXSID30441604
    • 84371-57-3
    • A,17
    • A,10
    • (5
    • A)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
    • JM7HCL46CC
    • (5?,10?,17?)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal
    • (1'R,5'S,6'S,9'S,10'S,13'R)-5'-Methyl-6'-prop-1-ynylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
    • (5alpha,10alpha,17beta)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one cyclic 1,2-ethanediyl acetal
    • 5alpha,10alpha-Epoxy-3,3-(ethylenedioxy)-17beta-hydroxy-17alpha-(1-propynyl)-9(11)-estrene
    • (5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal;
    • Inchi： 1S/C23H30O4/c1-3-7-20(24)9-6-17-16-4-10-21-15-22(25-13-14-26-22)11-12-23(21,27-21)18(16)5-8-19(17,20)2/h5,16-17,24H,4,6,8-15H2,1-2H3/t16-,17-,19-,20-,21+,23+/m0/s1
    • InChI Key： NRUIWWWJNIPUBD-XZJZWBLTSA-N
    • SMILES： O1[C@]23CC4(CC[C@]12C1=CC[C@]2(C)[C@](C#CC)(CC[C@H]2[C@@H]1CC3)O)OCCO4

Computed Properties

  • Exact Mass: 370.21400
  • Monoisotopic Mass: 370.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 798
  • 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: 1.9
  • Topological Polar Surface Area: 51.2?2

Experimental Properties

  • Melting Point: 122-125°C
  • PSA: 51.22000
  • LogP: 3.33200

(5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal; Related Literature

84371-57-3 ((5α,10α,17β)-5,10-Epoxy-17-hydroxy-17-(1-propyn-1-yl)-estr-9(11)-en-3-one Cyclic 1,2-Ethanediyl Acetal;) Related Products

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