Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)

CAS Registry Number®

93939-81-2

CAS Name

Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)

Molecular Formula

C22H28O5

Molecular Mass

372.45

Cite this Page

Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93939-81-2 (retrieved 2024-11-22) (CAS RN: 93939-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19?,22+/m1/s1

InChIKey

InChIKey=YJPIDPAGJSWWBE-MCIJPOSHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC2OC(CCC(O)=O)=O)[H]

Canonical SMILES

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

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)

CAS INSIGHTSTM
Targeted protein degrader structure, illustration