(17β)-17-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol

CAS Registry Number®

54063-33-1
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CAS Name

(17β)-17-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol

Molecular Formula

C20H25Cl3O3

Molecular Mass

419.77

Cite this Page

(17β)-17-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54063-33-1 (retrieved 2024-04-26) (CAS RN: 54063-33-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    182-183 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1

InChIKey

InChIKey=JVLHMVXGPLKLFV-AJUWMHLFSA-N

SMILES

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

Canonical SMILES

ClC(Cl)(Cl)C(O)OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-3-ol, 17-(2,2,2-trichloro-1-hydroxyethoxy)-, (17β)-
  • Estra-1,3,5(10)-trien-3-ol, 17β-(2,2,2-trichloro-1-hydroxyethoxy)-
  • (17β)-17-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol
  • Cloxestradiol

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