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

CAS Registry Number®

1263-57-6

CAS Name

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

Molecular Formula

C40H64O4

Molecular Mass

608.93

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-diundecanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1263-57-6 (retrieved 2024-11-22) (CAS RN: 1263-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H64O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h23,25,30,34-37H,4-22,24,26-29H2,1-3H3/t34-,35-,36+,37+,40+/m1/s1

InChIKey

InChIKey=PWQIMJUJIMPDSQ-OBRFQGJBSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-diundecanoate
  • Estradiol, diundecanoate
  • Undecanoic acid, estra-1,3,5(10)-trien-3,17β-ylene ester
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, diundecanoate
  • Estradiol diundecylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration