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

CAS Registry Number®

6045-51-8
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CAS Name

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

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-propanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6045-51-8 (retrieved 2024-04-26) (CAS RN: 6045-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125-126 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-3-20(23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-21(2)18(17)8-9-19(21)22/h5,7,12,16-19,22H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,21+/m1/s1

InChIKey

InChIKey=FONFXFZWMZJFCD-AGRFSFNASA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-propanoate
  • Estra-1,3,5(10)-triene-3,17β-diol, 3-propionate
  • Estradiol 3-propionate
  • β-Estradiol 3-propionate
  • 17β-Estradiol 3-propionate

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