Estradiol, 17-palmitate

CAS Registry Number®

5776-45-4

CAS Name

Estradiol, 17-palmitate

Molecular Formula

C34H54O3

Molecular Mass

510.79

Cite this Page

Estradiol, 17-palmitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5776-45-4 (retrieved 2024-11-24) (CAS RN: 5776-45-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    81-85 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3/t29-,30-,31+,32+,34+/m1/s1

InChIKey

InChIKey=XQKLZLWOOGGXMV-KWXXMMNJSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-hexadecanoate
  • Estradiol, 17-palmitate
  • Palmitic acid, 17-ester with estradiol
  • Estradiol 17-monopalmitate
  • 17β-Estradiol monopalmitate

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