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Substance Name: Disilybin
RN: 56316-49-5
InChIKey: GEVRRJXIMHSJOD-BQRLKCCHSA-N

Molecular Formula

  • C50-H44-O20

Molecular Weight

  • 964.878
 
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Names and Synonyms

Results Name

  • Disilybin

Synonyms

  • Disilybin
  • Silybin dimer

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2- (hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R-(2alpha,3beta,6(2R*,3R*)))-, dimer

Registry Numbers

CAS Registry Number

  • 56316-49-5

System Generated Number

  • 0056316495

Structure Descriptors

InChI

1S/2C25H22O10/c2*1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2*2-9,20,23-29,31H,10H2,1H3/t2*20-,23+,24?,25-/m11/s1

InChIKey

GEVRRJXIMHSJOD-BQRLKCCHSA-N

Smiles

c1c2O[C@@H]([C@H](C(=O)c2c(cc1O)O)O)c1cc2c(cc1)O[C@@H]([C@@H](O2)c1cc(OC)c(O)cc1)CO.c1c2O[C@@H]([C@H](C(=O)c2c(cc1O)O)O)c1cc2c(cc1)O[C@@H]([C@@H](O2)c1cc(OC)c(cc1)O)CO