9,11-Dehydroestradiol

CAS Registry Number®

791-69-5

CAS Name

9,11-Dehydroestradiol

Molecular Formula

C18H22O2

Molecular Mass

270.37

Cite this Page

9,11-Dehydroestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=791-69-5 (retrieved 2024-11-21) (CAS RN: 791-69-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174-175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1

InChIKey

InChIKey=FABGTKBXHAEVKL-OWSLCNJRSA-N

SMILES

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

Canonical SMILES

OC=1C=CC2=C(C1)CCC3C2=CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17β)-
  • Estra-1,3,5(10),9(11)-tetraene-3,17β-diol
  • (17β)-Estra-1,3,5(10),9(11)-tetraene-3,17-diol
  • Δ9,11-Estradiol
  • J 1213

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration