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

CAS Registry Number®

126144-03-4

CAS Name

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

Molecular Formula

C54H92O4

Molecular Mass

805.31

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dioctadecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126144-03-4 (retrieved 2024-11-22) (CAS RN: 126144-03-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H92O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(55)57-46-37-39-47-45(44-46)36-38-49-48(47)42-43-54(3)50(49)40-41-51(54)58-53(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37,39,44,48-51H,4-36,38,40-43H2,1-3H3/t48-,49-,50+,51+,54+/m1/s1

InChIKey

InChIKey=BBBPCTNBNYFUOV-NXCWIAOISA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dioctadecanoate
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, dioctadecanoate
  • Estradiol distearate

Deleted or Replaced CAS Registry Numbers

143030-05-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration