16-Ketoestradiol

CAS Registry Number®

566-75-6

CAS Name

16-Ketoestradiol

Molecular Formula

C18H22O3

Molecular Mass

286.37

Cite this Page

16-Ketoestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=566-75-6 (retrieved 2024-11-22) (CAS RN: 566-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247-252 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1

InChIKey

InChIKey=KJDGFQJCHFJTRH-YONAWACDSA-N

SMILES

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

Canonical SMILES

O=C1CC2C3CCC4=CC(O)=CC=C4C3CCC2(C)C1O

Other Names for this Substance

  • Estra-1,3,5(10)-trien-16-one, 3,17-dihydroxy-, (17β)-
  • Estra-1,3,5(10)-trien-16-one, 3,17β-dihydroxy-
  • (17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-16-one
  • 16-Ketoestradiol
  • 16-Oxo-17β-estradiol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration