Estradiol 3-methyl ether

CAS Registry Number®

1035-77-4

CAS Name

Estradiol 3-methyl ether

Molecular Formula

C19H26O2

Molecular Mass

286.41

Cite this Page

Estradiol 3-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1035-77-4 (retrieved 2024-11-22) (CAS RN: 1035-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1

InChIKey

InChIKey=ULAADVBNYHGIBP-GFEQUFNTSA-N

SMILES

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

Canonical SMILES

OC1CCC2C3CCC4=CC(OC)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17β)-
  • Estra-1,3,5(10)-trien-17β-ol, 3-methoxy-
  • (17β)-3-Methoxyestra-1,3,5(10)-trien-17-ol
  • Estradiol 3-methyl ether
  • 3-Methoxy-17β-hydroxyestra-1,3,5(10)-triene

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Deleted or Replaced CAS Registry Numbers

30308-16-8, 40135-21-5, 1713228-25-1

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