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

CAS Registry Number®

66791-46-6

CAS Name

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

Molecular Formula

C28H40O3

Molecular Mass

424.62

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclooctaneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66791-46-6 (retrieved 2024-11-22) (CAS RN: 66791-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O3/c1-28-16-15-23-22-12-10-21(29)18-20(22)9-11-24(23)25(28)13-14-26(28)31-27(30)17-19-7-5-3-2-4-6-8-19/h10,12,18-19,23-26,29H,2-9,11,13-17H2,1H3/t23-,24-,25+,26+,28+/m1/s1

InChIKey

InChIKey=CZCGBAHDFURTGU-VMBLQBCYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CC5CCCCCCC5)=O)[H]

Canonical SMILES

O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CC5CCCCCCC5

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclooctaneacetate
  • Estradiol 17β-cyclooctylacetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration