Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cortolone-3-glucuronide
RN: 95826-45-2
InChIKey: JFZNUBRLDQSHKU-UHFFFAOYSA-N

Molecular Formula

  • C27-H42-O11.1/2Ba

Molecular Weight

  • 679.9478
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Cortolone-3-glucuronide

Synonyms

  • 20alpha-Cortolone-3-glucuronide
  • 20beta-Cortolone-3-glucuronide

Systematic Names

  • beta-D-Glucopyranosiduronic acid, (3alpha,5beta,20R)-17,20,21-trihydroxy-11-oxopregnan-3-yl, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-
  • beta-D-Glucopyranosiduronic acid, (3alpha,5beta,20R)-17,20,21-trihydroxy-11-oxopregnan-3-yl, barium salt (2:1)

Registry Numbers

CAS Registry Number

  • 95826-45-2

System Generated Number

  • 0095826452

Molecular Formulas

Molecular Formula

  • C27-H42-O11.1/2Ba

Molecular Formula Fragments

  • Ba
  • C27-H42-O11
  • COMPONENT

Structure Descriptors

InChI

1S/C27H42O11.Ba/c1-25-9-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)5-3-12(25)4-6-14-15-7-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25;/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35);/q;+2

InChIKey

JFZNUBRLDQSHKU-UHFFFAOYSA-N

Smiles

C1(C(C(C(C(O1)OC1CCC2C(C1)(C1C(CC2)C2C(CC1=O)(C(CC2)(C(CO)O)O)C)C)O)O)O)C(=O)O.[Ba+2]