16α-Hydroxyestrone

CAS Registry Number®

566-76-7

CAS Name

16α-Hydroxyestrone

Molecular Formula

C18H22O3

Molecular Mass

286.37

Cite this Page

16α-Hydroxyestrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=566-76-7 (retrieved 2024-11-24) (CAS RN: 566-76-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214 °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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1

InChIKey

InChIKey=WPOCIZJTELRQMF-QFXBJFAPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(C[C@@H](O)C2=O)[H]

Canonical SMILES

O=C1C(O)CC2C3CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3,16-dihydroxy-, (16α)-
  • Estra-1,3,5(10)-trien-17-one, 3,16α-dihydroxy-
  • (16α)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
  • 16α-Hydroxyestrone
  • 3,16α-Dihydroxy-1,3,5(10)-estratrien-17-one

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