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Silymarin (>80%)

CAT: 0572-TRC-S465895-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S465895-5GSize:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84604-20-6
Synonyms
Apihepar; Darsil; Flavobion; Karsilin; Laragon; Legalon; Legalon 70; Pluropon; Silarin; Silepar; Silirex; Silistrong; Silmar; Silymarin Group; Silystrong
Hazard Statement
Harmful if swallowed
Smiles
COC1=C(O)C=CC(C2C(CO)OC3=C(C=C(C4C(O)C(C5=C(O)C=C(O)C=C5O4)=O)C=C3)O2)=C1
Molecular Formula
C25H22O10
Molecular Weight
482.44
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
Additionnal Information
IUPAC name: 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Silymarin

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one is a flavonolignan.

CAS Number84604-20-6
PubChem CID5213
IUPAC Name3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Molecular FormulaC25H22O10
Molecular Weight482.4
XLogP2.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
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
InChIKey
SEBFKMXJBCUCAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Silymarin
CAS: 84604-20-6
CID: 5213
Formula: C25H22O10
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass482.12129689
Monoisotopic Mass482.12129689
Topological Polar Surface Area155 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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