Estriol 16-glucuronide

CAS Registry Number®

1852-50-2
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CAS Name

Estriol 16-glucuronide

Molecular Formula

C24H32O9

Molecular Mass

464.51

Cite this Page

Estriol 16-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1852-50-2 (retrieved 2024-07-05) (CAS RN: 1852-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/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=FQYGGFDZJFIDPU-JRSYHJKYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1OC(OC2CC3C4CCC5=CC(O)=CC=C5C4CCC3(C)C2O)C(O)C(O)C1O

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

125926-21-8, 15288-35-4, 30137-09-8, 82356-48-7