Cas no 5976-61-4 (4-Hydroxy-17b-estradiol)

4-Hydroxy-17b-estradiol structure
4-Hydroxy-17b-estradiol structure
Product Name:4-Hydroxy-17b-estradiol
CAS No:5976-61-4
MF:C18H24O3
MW:288.381365776062
CID:826308
PubChem ID:5282360
Update Time:2025-09-22

4-Hydroxy-17b-estradiol Chemical and Physical Properties

Names and Identifiers

    • 4-HYDROXYESTRADIOL
    • 4-Hydroxy-17β-estradiol
    • 1,3,5(10)-Estratriene-3,4,17β-triol
    • 4-hydroxy-17beta-estradiol
    • CHEMBL1412489
    • LMST02010028
    • DTXSID3022374
    • Epitope ID:159259
    • 1,3,5(10)-ESTRATRIENE-3,4,17.BETA.-TRIOL
    • 4-hydroxyestradiol-17 beta
    • BDBM34649
    • 4-Hydroxy-17?-estradiol
    • cid_5282360
    • 5976-61-4
    • DTXCID502374
    • (1S,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol
    • Estra-1,3,5(10)-triene-3,4,17-triol, (17.beta.)-
    • HMS2234M15
    • Opera_ID_1797
    • SMR000058747
    • (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,4,17-triol
    • 4-Hydroxyestradiol, analytical standard
    • SCHEMBL224398
    • PD133744
    • 4,17 dihydroxy estradiol
    • 4-Hydroxy-17b-estradiol
    • 4-OH-Estradiol
    • 4-Hydroxy-17-beta-estradiol
    • MFCD00063335
    • 1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL
    • 4-OHE2
    • NCGC00247036-01
    • CCRIS 8710
    • MLS000069567
    • Q27104901
    • UNII-C3ZO03450E
    • (17beta)-estra-1,3,5(10)-triene-3,4,17-triol
    • (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
    • 4OHE2
    • 3,4,17beta-trihydroxy-1,3,5[10]-estratriene
    • 4-hydroxylestradiol
    • NS00040591
    • 4-Hydroxyestradiol-17beta
    • 4-Hydroxy-17 beta -estradiol
    • 3,4,17beta-estriol
    • 4-hydroxy-estradiol
    • estra-1,3,5(10)-triene-2,4,17beta-triol
    • BIDD:ER0171
    • estra-1,3,5(10)-triene-3,14,17beta-triol
    • ESTRADIOL METABOLITE (4-HYDROXYESTRADIOL)
    • ESTRA-1,3,5(10)-TRIENE-3,4,17-beta-TRIOL
    • Estra-1,3,5(10)-triene-3,4,17beta-triol
    • 1,3,5(10)-Estratriene-3,4,17beta-triol
    • C3ZO03450E
    • CHEBI:62845
    • MDL: MFCD00063335
    • Inchi: 1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
    • InChI Key: QOZFCKXEVSGWGS-ZHIYBZGJSA-N
    • SMILES: O[C@H]1CC[C@H]2[C@@H]3CCC4C(=C(C=CC=4[C@H]3CC[C@@]21C)O)O

Computed Properties

  • Exact Mass: 288.17300
  • Monoisotopic Mass: 288.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 411
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 53
  • XLogP3: 4
  • Topological Polar Surface Area: 60.7

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.1285 (rough estimate)
  • Melting Point: >210°C (dec.)
  • Boiling Point: 370.61°C (rough estimate)
  • Refractive Index: 1.5000 (estimate)
  • PSA: 60.69000
  • LogP: 3.31480
  • Solubility: Not determined

4-Hydroxy-17b-estradiol Security Information

  • WGK Germany:3
  • Hazard Category Code: 40
  • Safety Instruction: 22-36
  • RTECS:KG7676000
  • Hazardous Material Identification: Xn
  • Risk Phrases:R40

4-Hydroxy-17b-estradiol Pricemore >>

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