Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate

CAS Registry Number®

20592-42-1
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CAS Name

Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate

Molecular Formula

C22H26O4

Molecular Mass

354.44

Cite this Page

Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20592-42-1 (retrieved 2024-05-17) (CAS RN: 20592-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146-151 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,9,12,18-20H,4,6,8,10-11H2,1-3H3/t18-,19-,20+,22+/m1/s1

InChIKey

InChIKey=KPJNGUPMJAHAND-JBPLPALLSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(CC=C2OC(C)=O)[H]

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate
  • Estra-1,3,5(10),16-tetraene-3,17-diol, diacetate
  • Estrone enol diacetate
  • NSC 97079

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