4-Hydroxyestradiol

CAS Registry Number®

5976-61-4
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CAS Name

4-Hydroxyestradiol

Molecular Formula

C18H24O3

Molecular Mass

288.38

Cite this Page

4-Hydroxyestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5976-61-4 (retrieved 2024-04-24) (CAS RN: 5976-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-253 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QOZFCKXEVSGWGS-ZHIYBZGJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(O)C(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

OC1=CC=C2C(=C1O)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,4,17-triol, (17β)-
  • Estra-1,3,5(10)-triene-3,4,17β-triol
  • (17β)-Estra-1,3,5(10)-triene-3,4,17-triol
  • 4-Hydroxyestradiol
  • 4-Hydroxy-17β-estradiol

Deleted or Replaced CAS Registry Numbers

1050678-71-1

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