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Substance Name: N-Demethylcelesticetin
RN: 40736-31-0
InChIKey: JGNMAXOBERVZHJ-UHFFFAOYSA-N

Molecular Weight

  • 514.593
 
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Names and Synonyms

Name of Substance

  • N-Demethylcelesticetin

Systematic Name

  • D-erythro-alpha-D-galacto-Octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-7-O-methyl-6-((2-pyrrolidinylcarbonyl)amino)-1-thio-, (S)-

Registry Numbers

CAS Registry Number

  • 40736-31-0

System Generated Number

  • 0040736310

Structure Descriptors

InChI

1S/C23H34N2O9S/c1-12(32-2)16(25-21(30)14-7-5-9-24-14)20-18(28)17(27)19(29)23(34-20)35-11-10-33-22(31)13-6-3-4-8-15(13)26/h3-4,6,8,12,14,16-20,23-24,26-29H,5,7,9-11H2,1-2H3,(H,25,30)

InChIKey

JGNMAXOBERVZHJ-UHFFFAOYSA-N

Smiles

O([C@@H]([C@@H]([C@@H]1O[C@@H](SCCOC(c2c(cccc2)O)=O)[C@@H](O)[C@@H](O)[C@@H]1O)NC([C@@H]1NCCC1)=O)C)C