(17β)-4-Fluoroestra-1,3,5(10)-triene-3,17-diol

CAS Registry Number®

1881-37-4
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CAS Name

(17β)-4-Fluoroestra-1,3,5(10)-triene-3,17-diol

Molecular Formula

C18H23FO2

Molecular Mass

290.37

Cite this Page

(17β)-4-Fluoroestra-1,3,5(10)-triene-3,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1881-37-4 (retrieved 2024-04-26) (CAS RN: 1881-37-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-190 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C18H23FO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1

InChIKey

InChIKey=QZFXMXJXAUMHQR-ZHIYBZGJSA-N

SMILES

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

Canonical SMILES

FC=1C(O)=CC=C2C1CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, 4-fluoro-, (17β)-
  • Estra-1,3,5(10)-triene-3,17β-diol, 4-fluoro-
  • (17β)-4-Fluoroestra-1,3,5(10)-triene-3,17-diol
  • 4-Fluoro-17β-estradiol
  • NSC 94528

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