α-Estradiol

CAS Registry Number®

57-91-0

CAS Name

α-Estradiol

Molecular Formula

C18H24O2

Molecular Mass

272.38

Cite this Page

α-Estradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-91-0 (retrieved 2024-11-22) (CAS RN: 57-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

InChIKey

InChIKey=VOXZDWNPVJITMN-SFFUCWETSA-N

SMILES

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

Canonical SMILES

OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, (17α)-
  • 17α-Estradiol
  • (17α)-Estra-1,3,5(10)-triene-3,17-diol
  • 3,17-Dihydroxyestratriene
  • 3,17α-Dihydroxyoestra-1,3,5(10)-triene

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration