Silybin

CAS Registry Number®

22888-70-6
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CAS Name

Silybin

Molecular Formula

C25H22O10

Molecular Mass

482.44

Cite this Page

Silybin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22888-70-6 (retrieved 2024-04-22) (CAS RN: 22888-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(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/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1

InChIKey

InChIKey=SEBFKMXJBCUCAI-HKTJVKLFSA-N

SMILES

C(O)[C@@H]1[C@H](OC=2C(O1)=CC=C(C2)[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(CO)C(OC4=C3)C5=CC=C(O)C(OC)=C5)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
  • 4-Chromanone, 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl]-
  • Silybin
  • 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-[2α,3β,6(2R*,3R*)]]-
  • 1,4-Benzodioxin, 4H-1-benzopyran-4-one deriv.

Deleted or Replaced CAS Registry Numbers

142796-20-1, 11054-49-2, 11076-05-4, 11076-06-5, 22888-69-3, 27359-03-1, 28577-40-4, 29832-10-8, 37574-50-8, 50976-99-3, 87725-90-4

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