9-Dehydroestrone

CAS Registry Number®

1089-80-1
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CAS Name

9-Dehydroestrone

Molecular Formula

C18H20O2

Molecular Mass

268.35

Cite this Page

9-Dehydroestrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1089-80-1 (retrieved 2024-06-27) (CAS RN: 1089-80-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    257-259 °C

Source(s)

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/h3,5,8,10,15-16,19H,2,4,6-7,9H2,1H3/t15-,16+,18+/m1/s1

InChIKey

InChIKey=SONVSJYKHAWLHA-RYRKJORJSA-N

SMILES

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

Canonical SMILES

O=C1CCC2C3C(=CCC12C)C=4C=CC(O)=CC4CC3

Other Names for this Substance

  • Estra-1,3,5(10),9(11)-tetraen-17-one, 3-hydroxy-
  • 3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one
  • Δ9(11)-Estrone
  • 9-Dehydroestrone
  • 9,11-Dehydroestrone