Estriol 3-sulfate 16-glucuronide

CAS Registry Number®

4661-65-8
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CAS Name

Estriol 3-sulfate 16-glucuronide

Molecular Formula

C24H32O12S

Molecular Mass

544.57

Cite this Page

Estriol 3-sulfate 16-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4661-65-8 (retrieved 2024-05-02) (CAS RN: 4661-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)

InChIKey

InChIKey=ATNWFRGUDKUYOG-UHFFFAOYSA-N

SMILES

CC12C(C3C(C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)CC1)CC(OC5OC(C(O)=O)C(O)C(O)C5O)C2O

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (16α,17β)-17-hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl
  • Glucopyranosiduronic acid, 3,17β-dihydroxyestra-1,3,5(10)-trien-16α-yl, 3-(hydrogen sulfate), β-D-
  • (16α,17β)-17-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl β-D-glucopyranosiduronic acid
  • Estriol 3-sulfate 16α-glucuronoside
  • Estriol 3-sulfate 16α-glucuronide

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Deleted or Replaced CAS Registry Numbers

13974-44-2

CAS INSIGHTSTM
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