Estradiol, 17-acetate

CAS Registry Number®

1743-60-8

CAS Name

Estradiol, 17-acetate

Molecular Formula

C20H26O3

Molecular Mass

314.42

Cite this Page

Estradiol, 17-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1743-60-8 (retrieved 2024-11-22) (CAS RN: 1743-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QAHOQNJVHDHYRN-SLHNCBLASA-N

SMILES

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

Canonical SMILES

O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)C

Other Names for this Substance

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

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