2-Methoxyestradiol-3-O-methyl ether

CAS Registry Number®

5976-67-0

CAS Name

2-Methoxyestradiol-3-O-methyl ether

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

2-Methoxyestradiol-3-O-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5976-67-0 (retrieved 2024-11-08) (CAS RN: 5976-67-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131-133 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(22-2)18(23-3)11-15(12)13/h10-11,13-14,16,19,21H,4-9H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1

InChIKey

InChIKey=AVCFXYYRWRZONV-BKRJIHRRSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=C(OC)C4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

OC1CCC2C3CCC4=CC(OC)=C(OC)C=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-ol, 2,3-dimethoxy-, (17β)-
  • Estra-1,3,5(10)-trien-17β-ol, 2,3-dimethoxy-
  • (17β)-2,3-Dimethoxyestra-1,3,5(10)-trien-17-ol
  • 2-Methoxy-17β-estradiol 3-methyl ether
  • 2-Hydroxyestradiol 2,3-dimethyl ether

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CAS INSIGHTSTM
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