Estradiol 17β-glucuronide

CAS Registry Number®

1806-98-0

CAS Name

Estradiol 17β-glucuronide

Molecular Formula

C24H32O8

Molecular Mass

448.51

Cite this Page

Estradiol 17β-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1806-98-0 (retrieved 2024-11-22) (CAS RN: 1806-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)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=MTKNDAQYHASLID-QXYWQCSFSA-N

SMILES

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

Canonical SMILES

O=C(O)C1OC(OC2CCC3C4CCC5=CC(O)=CC=C5C4CCC23C)C(O)C(O)C1O

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

125926-20-7, 27851-73-6, 30137-07-6, 21809-48-3, 21809-63-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration