Cas no 2398-63-2 (Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI))

Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI) structure
2398-63-2 structure
Product Name:Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI)
CAS No:2398-63-2
MF:C21H28O3
MW:328.445226669312
CID:251106
PubChem ID:7061039
Update Time:2024-10-30

Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI)
    • (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-17'-one
    • 17,17-Aethandiyldioxy-andr
    • 17,17-ethanediyldioxy-androsta-1,4-dien-3-one
    • 17-Ethylendioxyandrosta-1,4-dien-3-one
    • AG-E-70676
    • Androsta-1,4-diene-3,17-dione 17-ethylene ketal
    • Androsta-1,4-diene-3,17-dione,cyclic 17-(ethylene acetal) (6CI,7CI,8CI)
    • CTK4F2711
    • Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolane],androsta-1,4-diene-3,17-dione deriv.
    • SureCN8766035
    • Androsta-1,4-diene-3,17-dione, cyclic 17-(1,2-ethanediyl acetal)
    • (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3(6H)-one
    • Metandienone Impurity 1
    • Fenpyroximate Impurity 1 ((E)-Fenpyroximate)
    • 17,17-ethylenedioxyandrosta-1,4-dien-3-one
    • SCHEMBL1144570
    • (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
    • (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,3]dioxolan]-7-one
    • 2398-63-2
    • 1,4-Androstadien-3,17-dione 17-ethyleneketal
    • AOYBIWCQSGSYJF-DEPCRRQNSA-N
    • Inchi: 1S/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3/t16-,17+,18+,19+,20+/m1/s1
    • InChI Key: AOYBIWCQSGSYJF-DEPCRRQNSA-N
    • SMILES: C12(OCCO1)CC[C@@]1([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]21C

Computed Properties

  • Exact Mass: 328.20394
  • Monoisotopic Mass: 328.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 642
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 466.1±45.0 °C at 760 mmHg
  • Flash Point: 227.8±15.1 °C
  • PSA: 35.53
  • LogP: 4.03740
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI) Security Information

Androsta-1,4-diene-3,17-dione,cyclic 17-(1,2-ethanediyl acetal) (9CI) Pricemore >>

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