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Substance Name: 7-O-Demethylcelesticetin
RN: 39032-05-8
InChIKey: YYUIVIDHYIOOCM-UHFFFAOYSA-N

Molecular Weight

  • 514.593
 
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Names and Synonyms

Name of Substance

  • 7-O-Demethylcelesticetin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 39032-05-8

System Generated Number

  • 0039032058

Structure Descriptors

InChI

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

InChIKey

YYUIVIDHYIOOCM-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]1[N@@](CCC1)C)=O)C