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Substance Name: Isosilybin A
RN: 142796-21-2
UNII: HHN3Q9H3DK
InChIKey: FDQAOULAVFHKBX-HKTJVKLFSA-N

Molecular Formula

  • C25-H22-O10

Molecular Weight

  • 482.4388
 
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Names and Synonyms

Name of Substance

  • Isosilybin A

Synonyms

  • 4H-1-Benzopyran-4-one, 2-((2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
  • Iso-silybin A
  • Isosilibinin A
  • Isosilybin A
  • Silybin B2
  • UNII-HHN3Q9H3DK

Registry Numbers

CAS Registry Number

  • 142796-21-2

FDA UNII

  • HHN3Q9H3DK

System Generated Number

  • 0142796212

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-/m1/s1

InChIKey

FDQAOULAVFHKBX-HKTJVKLFSA-N

Smiles

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