Isosilybin

CAS Registry Number®

72581-71-6

CAS Name

Isosilybin

Molecular Formula

C25H22O10

Molecular Mass

482.44

Cite this Page

Isosilybin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72581-71-6 (retrieved 2024-12-22) (CAS RN: 72581-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=FDQAOULAVFHKBX-DBMPWETRSA-N

SMILES

C(O)C1C(OC=2C(O1)=CC(=CC2)[C@H]3OC=4C(C(=O)[C@@H]3O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C4OC(C5=CC=C(O)C(OC)=C5)C(OC4=C3)CO)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
  • 1,4-Benzodioxin, 4H-1-benzopyran-4-one deriv.
  • (2R,3R)-2-[2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • Isosilybin
  • Isosilybinin

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CAS INSIGHTSTM
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