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

CAS Registry Number®

63042-23-9
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CAS Name

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

Molecular Formula

C26H36O4

Molecular Mass

412.56

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, dibutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63042-23-9 (retrieved 2024-05-01) (CAS RN: 63042-23-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64-65 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3/t20-,21-,22+,23+,26+/m1/s1

InChIKey

InChIKey=KCWOSNZFDYZBNP-IOCWQACJSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, dibutanoate
  • Estradiol, dibutyrate

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