Estradiol 3-glucuronide

CAS Registry Number®

15270-30-1

CAS Name

Estradiol 3-glucuronide

Molecular Formula

C24H32O8

Molecular Mass

448.51

Cite this Page

Estradiol 3-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15270-30-1 (retrieved 2024-11-22) (CAS RN: 15270-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1

InChIKey

InChIKey=MUOHJTRCBBDUOW-QXYWQCSFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(O)C1OC(OC2=CC=C3C(=C2)CCC4C3CCC5(C)C(O)CCC45)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl
  • Glucopyranosiduronic acid, 17β-hydroxyestra-1,3,5(10)-trien-3-yl, β-D-
  • β-D-Glucosiduronic acid, 17β-hydroxyestra-1,3,5(10)-trien-3-yl
  • Estrane, β-D-glucopyranosiduronic acid deriv.
  • (17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

125992-28-1, 27851-72-5, 76663-49-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration