4-Methoxyestradiol

CAS Registry Number®

26788-23-8
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CAS Name

4-Methoxyestradiol

Molecular Formula

C19H26O3

Molecular Mass

302.41

Cite this Page

4-Methoxyestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26788-23-8 (retrieved 2024-04-26) (CAS RN: 26788-23-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1

InChIKey

InChIKey=BCWZIZLVBYHFES-PYEWSWHRSA-N

SMILES

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

Canonical SMILES

OC1=CC=C2C(=C1OC)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, 4-methoxy-, (17β)-
  • Estra-1,3,5(10)-triene-3,17β-diol, 4-methoxy-
  • (17β)-4-Methoxyestra-1,3,5(10)-triene-3,17-diol
  • 4-Methoxyestradiol
  • 4-Methoxy-17β-estradiol

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