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

CAS Registry Number®

18069-79-9
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CAS Name

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

Molecular Formula

C22H30O3

Molecular Mass

342.47

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18069-79-9 (retrieved 2024-05-19) (CAS RN: 18069-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166.5-167.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1

InChIKey

InChIKey=XRKFWLKYSYKIKT-KOVVAJLHSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate
  • Estradiol, 17-butyrate
  • Butyric acid, 17-ester with estradiol

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