Estriol 3-glucuronide

CAS Registry Number®

2479-91-6

CAS Name

Estriol 3-glucuronide

Molecular Formula

C24H32O9

Molecular Mass

464.51

Cite this Page

Estriol 3-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2479-91-6 (retrieved 2024-11-22) (CAS RN: 2479-91-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    305 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

InChIKey

InChIKey=UZKIAJMSMKLBQE-JRSYHJKYSA-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])(C[C@@H](O)[C@@H]2O)[H]

Canonical SMILES

O=C(O)C1OC(OC2=CC=C3C(=C2)CCC4C3CCC5(C)C(O)C(O)CC45)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (16α,17β)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl
  • Glucopyranosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl, β-D-
  • β-D-Glucosiduronic acid, 16α,17β-dihydroxyestra-1,3,5(10)-trien-3-yl
  • Estrane, β-D-glucopyranosiduronic acid deriv.
  • (16α,17β)-16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

18555-03-8, 17263-26-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration