Cas no 3434-88-6 (17Beta-Estradiol Diacetate)

17Beta-Estradiol Diacetate structure
17Beta-Estradiol Diacetate structure
Product Name:17Beta-Estradiol Diacetate
CAS No:3434-88-6
MF:C22H28O4
MW:356.455327033997
CID:44156
PubChem ID:66431
Update Time:2025-04-18

17Beta-Estradiol Diacetate Chemical and Physical Properties

Names and Identifiers

    • Estradiol diacetate
    • Estra-1,3,5(10)-triene-3,17b-diol diacetate
    • 17-Beta-Estradiol 3,17-Diacetate
    • 17β-Estradiol Diacetate
    • BETA-ESTRADIOL DIACETATE
    • 17beta-EstradiolDiacetate
    • NSC-106559
    • 3434-88-6
    • Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, diacetate
    • SCHEMBL147461
    • NS00040647
    • UNII-X43EU3CQ8P
    • 17
    • Estradiol-3,17-diacetate
    • 3,17.beta.-Diacetoxyestra-1,3,5(10)-triene
    • 3,17beta-Diacetoxyestra-1,3,5(10)-triene
    • Estradiol-3,17beta-diacetate
    • BCP28461
    • 3,17.beta.-di(Acetyloxy)estra-1,3,5(10)-triene
    • Estra-1,3,5(10)-triene-3,17.beta.-diol diacetate
    • 17.beta.-Estradiol diacetate
    • X43EU3CQ8P
    • Estradiol-3,17.beta.-diacetate
    • 17b-Estradiol Diacetate
    • .beta.-Estradiol diacetate
    • EINECS 222-335-3
    • 17-
    • CHEMBL3138724
    • A-Estradiol Diacetate
    • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diacetate
    • A-Estradion diacetate
    • NSC 106559
    • beta-Estradiol 3,17-diacetate
    • Estra-1,3,5(10)-triene-3,17beta-diol diacetate
    • DTXSID10955895
    • 17.beta.-(Acetyloxy)estra-1,3,5(10)-trien-3-yl acetate
    • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3,17-diacetate
    • 17beta-Estradiol diacetate
    • FE22830
    • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diacetate (9CI)
    • 17?-Estradiol diacetate
    • DTXCID001766673
    • G92396
    • (17?)-Estra-1,3,5(10)-triene-3,17-diol 3,17-diacetate;Estradiol diacetate;3,17?-Diacetoxyestra-1,3,5(10)-triene
    • 17Beta-Estradiol Diacetate
    • Inchi: 1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
    • InChI Key: VQHQLBARMFAKSV-AANPDWTMSA-N
    • SMILES: O(C(C)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3CC[C@@]21C)OC(C)=O

Computed Properties

  • Exact Mass: 356.19900
  • Monoisotopic Mass: 356.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 573
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: 4.39970

17Beta-Estradiol Diacetate Security Information

  • Hazard Category Code: 40-48
  • Safety Instruction: S22; S24/25
  • Hazardous Material Identification: Xn
  • Risk Phrases:R40; R48

17Beta-Estradiol Diacetate Pricemore >>

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