Equilin

CAS Registry Number®

474-86-2

CAS Name

Equilin

Molecular Formula

C18H20O2

Molecular Mass

268.35

Cite this Page

Equilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=474-86-2 (retrieved 2024-11-22) (CAS RN: 474-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    239 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1

InChIKey

InChIKey=WKRLQDKEXYKHJB-HFTRVMKXSA-N

SMILES

C[C@@]12[C@](C=3[C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])(CCC2=O)[H]

Canonical SMILES

O=C1CCC2C3=CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-
  • Equilin
  • 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
  • 1,3,5,7-Estratetraen-3-ol-17-one
  • 7-Dehydroestrone

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