Estradiol 3-sulfate

CAS Registry Number®

481-96-9

CAS Name

Estradiol 3-sulfate

Molecular Formula

C18H24O5S

Molecular Mass

352.45

Cite this Page

Estradiol 3-sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=481-96-9 (retrieved 2024-11-22) (CAS RN: 481-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1

InChIKey

InChIKey=QZIGLSSUDXBTLJ-ZBRFXRBCSA-N

SMILES

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

Canonical SMILES

O=S(=O)(O)OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-(hydrogen sulfate)
  • Estradiol, 3-(hydrogen sulfate)
  • 17β-Estradiol sulfate
  • Estradiol 3-sulfate
  • 17β-Estradiol 3-sulfate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration