4-Hydroxyestrone 3-methyl ether

CAS Registry Number®

5976-62-5

CAS Name

4-Hydroxyestrone 3-methyl ether

Molecular Formula

C19H24O3

Molecular Mass

300.39

Cite this Page

4-Hydroxyestrone 3-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5976-62-5 (retrieved 2025-05-06) (CAS RN: 5976-62-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1

InChIKey

InChIKey=XITPEPUPAYFVDV-BFDPJXHCSA-N

SMILES

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

Canonical SMILES

O=C1CCC2C3CCC4=C(O)C(OC)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-
  • 4-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
  • 4-Hydroxyestrone 3-methyl ether
  • 3-O-Methyl-4-hydroxyestrone

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