Estra-1,3,5(10)-trien-3-ol, 17-(1-cycloocten-1-yloxy)-, benzoate, (17β)-

CAS Registry Number®

28200-94-4

CAS Name

Estra-1,3,5(10)-trien-3-ol, 17-(1-cycloocten-1-yloxy)-, benzoate, (17β)-

Molecular Formula

C33H40O3

Molecular Mass

484.67

Cite this Page

Estra-1,3,5(10)-trien-3-ol, 17-(1-cycloocten-1-yloxy)-, benzoate, (17β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28200-94-4 (retrieved 2024-11-22) (CAS RN: 28200-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O3/c1-33-21-20-28-27-17-15-26(36-32(34)23-10-6-5-7-11-23)22-24(27)14-16-29(28)30(33)18-19-31(33)35-25-12-8-3-2-4-9-13-25/h5-7,10-12,15,17,22,28-31H,2-4,8-9,13-14,16,18-21H2,1H3/t28-,29-,30+,31+,33+/m1/s1

InChIKey

InChIKey=DOFNLZKUGHVIMH-MATKXCEJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@@H]2OC=6CCCCCCC6)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC5=CCCCCCC5)CCC34)C=6C=CC=CC6

Other Names for this Substance

  • Estra-1,3,5(10)-trien-3-ol, 17-(1-cycloocten-1-yloxy)-, benzoate, (17β)-
  • Estra-1,3,5(10)-trien-3-ol, 17β-(1-cycloocten-1-yloxy)-, benzoate
  • Estradiol 3-benzoate 17-cyclooctenyl ether
  • 17β-(Cyclooct-1′-enyloxy)-1,3,5(10)-estratrien-3-ol benzoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration