1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

Base Information

• Chemical Name: 1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
• CAS No.: 8024-48-4
• Molecular Formula: C21H22O10
• Molecular Weight: 0
• Wikidata: Q104967768
• NCI Thesaurus Code: C28907
• Mol file: 8024-48-4.mol

Synonyms:Archin;Casanthranol;Emodin;Emodin, Frangula;Emodin, Rheum;Frangula Emodin;Frangulic Acid;Peristim;Rheum Emodin

Chemical Property of 1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one

Chemical Property:

• PSA: 177.14000
• LogP: -0.95960
• Storage Temp.: 2-8°C
• Solubility.: DMSO (slightly), Methanol (Slightly)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 434.12129689
• Heavy Atom Count: 31
• Complexity: 646

Purity/Quality:

98%Min ^*data from raw suppliers

Casanthranol(AmixtureofCasanthranolA,CasanthranolB,CascarosideAandCascarosideB)(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2OC4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
• Uses: aldosterone antagonist, diuretic