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Substance Name: Isosilybin B
RN: 142796-22-3
UNII: 15EH97604R
InChIKey: FDQAOULAVFHKBX-WAABAYLZSA-N

Molecular Formula

  • C25-H22-O10

Molecular Weight

  • 482.4388
 
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Names and Synonyms

Name of Substance

  • Isosilybin B

Synonyms

  • 4H-1-Benzopyran-4-one, 2-((2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
  • Isosilibinin B
  • Isosilybin B
  • Silybin A2
  • UNII-15EH97604R

Registry Numbers

CAS Registry Number

  • 142796-22-3

FDA UNII

  • 15EH97604R

System Generated Number

  • 0142796223

Structure Descriptors

InChI

1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1

InChIKey

FDQAOULAVFHKBX-WAABAYLZSA-N

Smiles

COc1cc(ccc1O)[C@@H]2Oc3ccc(cc3O[C@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O