Estra-1,3,5(10)-trien-17-one

CAS Registry Number®

53-45-2

CAS Name

Estra-1,3,5(10)-trien-17-one

Molecular Formula

C18H22O

Molecular Mass

254.37

Cite this Page

Estra-1,3,5(10)-trien-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-45-2 (retrieved 2024-11-25) (CAS RN: 53-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1

InChIKey

InChIKey=LGHBWDKMGOIZKH-CBZIJGRNSA-N

SMILES

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

Canonical SMILES

O=C1CCC2C3CCC=4C=CC=CC4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one
  • Estratrien-17-one
  • Estrone, 3-deoxy-
  • 3-Deoxyestrone
  • Desoxyestrone

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