Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(2,2-dimethylpropanoate)

CAS Registry Number®

24894-50-6
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CAS Name

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(2,2-dimethylpropanoate)

Molecular Formula

C23H32O3

Molecular Mass

356.50

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(2,2-dimethylpropanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=24894-50-6 (retrieved 2024-04-18) (CAS RN: 24894-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H32O3/c1-22(2,3)21(25)26-20-10-9-19-18-7-5-14-13-15(24)6-8-16(14)17(18)11-12-23(19,20)4/h6,8,13,17-20,24H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,23+/m1/s1

InChIKey

InChIKey=SLOFBKMZOOTTDZ-WCZGSDDISA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-(2,2-dimethylpropanoate)
  • Estradiol, 17-pivalate
  • Pivalic acid, 3-hydroxyestra-1,3,5(10)-trien-17β-yl ester
  • 17β-Estradiol 17-pivalate

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