11β-Hydroxyestradiol

CAS Registry Number®

5444-22-4

CAS Name

11β-Hydroxyestradiol

Molecular Formula

C18H24O3

Molecular Mass

288.38

Cite this Page

11β-Hydroxyestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5444-22-4 (retrieved 2024-11-22) (CAS RN: 5444-22-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    291-295 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16-,17+,18-/m0/s1

InChIKey

InChIKey=IGPOPFXCSGWCLM-FRMKIJSPSA-N

SMILES

O[C@@H]1[C@]2([C@]([C@]3([C@](C)(C1)[C@@H](O)CC3)[H])(CCC=4C2=CC=C(O)C4)[H])[H]

Canonical SMILES

OC1=CC=C2C(=C1)CCC3C2C(O)CC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,11,17-triol, (11β,17β)-
  • Estra-1,3,5(10)-triene-3,11β,17β-triol
  • (11β,17β)-Estra-1,3,5(10)-triene-3,11,17-triol
  • 11β-Hydroxyestradiol
  • U 6814

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