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

CAS Registry Number®

82205-00-3

CAS Name

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

Molecular Formula

C36H58O3

Molecular Mass

538.84

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-octadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82205-00-3 (retrieved 2024-11-22) (CAS RN: 82205-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h20,22,27,31-34,37H,3-19,21,23-26H2,1-2H3/t31-,32-,33+,34+,36+/m1/s1

InChIKey

InChIKey=KIADYVOYCQRXRE-IMTRJTTHSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-octadecanoate
  • Estradiol 17-stearate

Deleted or Replaced CAS Registry Numbers

84370-94-5