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Substance Name: 4-Hydroxyestrone-3-methyl ether
RN: 5976-62-5
InChIKey: XITPEPUPAYFVDV-BFDPJXHCSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C19-H24-O3

Molecular Weight

  • 300.3956
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyestrone-3-methyl ether

Synonyms

  • 4-08-00-02401 (Beilstein Handbook Reference)
  • 4-Hydroxy-3-methoxy-1,3,5(10)-estratrien-17-one
  • BRN 2509555

Systematic Name

  • Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 5976-62-5

System Generated Number

  • 0005976625

Structure Descriptors

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

XITPEPUPAYFVDV-BFDPJXHCSA-N

Smiles

COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1O