Estriol 3-methyl ether

CAS Registry Number®

1474-53-9

CAS Name

Estriol 3-methyl ether

Molecular Formula

C19H26O3

Molecular Mass

302.41

Cite this Page

Estriol 3-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1474-53-9 (retrieved 2024-11-24) (CAS RN: 1474-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1

InChIKey

InChIKey=UHQGCIIQUZBJAE-QKDSSNGWSA-N

SMILES

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

Canonical SMILES

OC1CC2C3CCC4=CC(OC)=CC=C4C3CCC2(C)C1O

Other Names for this Substance

  • Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-, (16α,17β)-
  • Estra-1,3,5(10)-triene-16α,17β-diol, 3-methoxy-
  • (16α,17β)-3-Methoxyestra-1,3,5(10)-triene-16,17-diol
  • Estriol methyl ether
  • 13β-Methyl-3-methoxygona-1,3,5(10)triene-16α,17β-diol

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Deleted or Replaced CAS Registry Numbers

896439-42-2, 1050677-66-1

CAS INSIGHTSTM
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