3-Deoxyestradiol

CAS Registry Number®

2529-64-8

CAS Name

3-Deoxyestradiol

Molecular Formula

C18H24O

Molecular Mass

256.38

Cite this Page

3-Deoxyestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2529-64-8 (retrieved 2025-01-03) (CAS RN: 2529-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    117.5-119.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey

InChIKey=MUENRDYXOADTOC-ZBRFXRBCSA-N

SMILES

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

Canonical SMILES

OC1CCC2C3CCC=4C=CC=CC4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-ol, (17β)-
  • Estra-1,3,5(10)-trien-17β-ol
  • (17β)-Estra-1,3,5(10)-trien-17-ol
  • Estradiol, 3-deoxy-
  • 3-Deoxyestradiol

View All

Deleted or Replaced CAS Registry Numbers

22431-32-9, 1050679-21-4

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