17-Epiestriol

CAS Registry Number®

1228-72-4

CAS Name

17-Epiestriol

Molecular Formula

C18H24O3

Molecular Mass

288.38

Cite this Page

17-Epiestriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1228-72-4 (retrieved 2024-11-22) (CAS RN: 1228-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1

InChIKey

InChIKey=PROQIPRRNZUXQM-PNVOZDDCSA-N

SMILES

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

Canonical SMILES

OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)C(O)CC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,16,17-triol, (16α,17α)-
  • Estra-1,3,5(10)-triene-3,16α,17α-triol
  • (16α,17α)-Estra-1,3,5(10)-triene-3,16,17-triol
  • 17α-Estriol
  • 17-Epiestriol

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