Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoate

CAS Registry Number®

26443-03-8
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CAS Name

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoate

Molecular Formula

C27H32O3

Molecular Mass

404.54

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26443-03-8 (retrieved 2024-04-19) (CAS RN: 26443-03-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    119-121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1

InChIKey

InChIKey=LQWSQQKTZLDGME-RYIFMDQWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCC5=CC=CC=C5)=O)[H]

Canonical SMILES

O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CCC=5C=CC=CC5

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-benzenepropanoate
  • Estradiol, 17-hydrocinnamate
  • Hydrocinnamic acid, 17-ester with estradiol
  • Estradiol 17-phenylpropionate
  • NSC 26645

Deleted or Replaced CAS Registry Numbers

26443-04-9, 1071582-82-5

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