Estradiol acetate

CAS Registry Number®

4245-41-4

CAS Name

Estradiol acetate

Molecular Formula

C20H26O3

Molecular Mass

314.42

Cite this Page

Estradiol acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4245-41-4 (retrieved 2024-11-22) (CAS RN: 4245-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136.5-137.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1

InChIKey

InChIKey=FHXBMXJMKMWVRG-SLHNCBLASA-N

SMILES

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

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)C

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-acetate
  • Estradiol, 3-acetate
  • 3-O-Acetylestradiol
  • β-Estradiol 3-acetate
  • Estra-1,3,5(10)-triene-3,17β-diyl 3-acetate

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Deleted or Replaced CAS Registry Numbers

25975-62-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration