17-Oxo-1,3,5(10)-triene-3,16α-diol diacetate

CAS Registry Number®

1247-71-8
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CAS Name

17-Oxo-1,3,5(10)-triene-3,16α-diol diacetate

Molecular Formula

C22H26O5

Molecular Mass

370.44

Cite this Page

17-Oxo-1,3,5(10)-triene-3,16α-diol diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1247-71-8 (retrieved 2024-04-26) (CAS RN: 1247-71-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,22+/m1/s1

InChIKey

InChIKey=QZQSENRWYLQIPC-JPVHLGFFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(C[C@@H](OC(C)=O)C2=O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C(=O)C(OC(=O)C)CC34)C)C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3,16-bis(acetyloxy)-, (16α)-
  • Estra-1,3,5(10)-trien-17-one, 3,16α-dihydroxy-, diacetate
  • (16α)-3,16-Bis(acetyloxy)estra-1,3,5(10)-trien-17-one
  • Colpormon
  • 16α-Hydroxyestrone diacetate

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