Estradiol-3-carboxymethyl ether

CAS Registry Number®

41164-36-7

CAS Name

Estradiol-3-carboxymethyl ether

Molecular Formula

C20H26O4

Molecular Mass

330.42

Cite this Page

Estradiol-3-carboxymethyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41164-36-7 (retrieved 2025-01-07) (CAS RN: 41164-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-18,21H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,18+,20+/m1/s1

InChIKey

InChIKey=DFDLVUUNTZHQBI-JGLNRKDHSA-N

SMILES

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

Canonical SMILES

O=C(O)COC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Acetic acid, [[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]-
  • [[(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl]oxy]acetic acid
  • 3-O-(Carboxymethyl)estradiol
  • O3-Carboxymethyl estradiol
  • Estradiol-3-carboxymethyl ether

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