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Substance Name: Bergenin [JAN]
RN: 477-90-7
UNII: L84RBE4IDC
InChIKey: YWJXCIXBAKGUKZ-HJJNZUOJSA-N

Molecular Formula

  • C14-H16-O9

Molecular Weight

  • 328.271
 
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Names and Synonyms

Name of Substance

  • Bergenin
  • Bergenin [JAN]

Synonyms

  • 3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one
  • Bergenin
  • UNII-L84RBE4IDC

Systematic Names

  • 3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one
  • 4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone

Registry Numbers

CAS Registry Number

  • 477-90-7

FDA UNII

  • L84RBE4IDC

Related Registry Number

  • 5956-63-8 (unspecified hydrate)

System Generated Number

  • 0000477907

Structure Descriptors

InChI

InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1

InChIKey

YWJXCIXBAKGUKZ-HJJNZUOJSA-N

Smiles

COc1c(O)cc2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c2c1O