(2R)-8-methylsocotrin-4'-ol

Base Information

• Chemical Name: (2R)-8-methylsocotrin-4'-ol
• CAS No.: 956103-75-6
• Molecular Formula: C32H32O6
• Molecular Weight: 512.6
• ChEMBL ID: CHEMBL254647
• Metabolomics Workbench ID: 129703
• Nikkaji Number: J2.527.708B
• Wikidata: Q105386290
• Mol file: 956103-75-6.mol

Synonyms:(2R)-8-methylsocotrin-4'-ol;956103-75-6;CHEMBL254647;(2R)-6-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;BDBM50222761;AKOS040734033;FS-8016;(2R)-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)propyl]-8-methylchroman-7-ol

Chemical Property of (2R)-8-methylsocotrin-4'-ol

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 512.21988874
• Heavy Atom Count: 38
• Complexity: 717

Purity/Quality:

98% ^*data from raw suppliers

(2R)-8-Methylsocotrin-4'-ol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=CC(=C1O)C(CCC3=C(C=C(C=C3)O)OC)C4=CC=C(C=C4)O)CCC(O2)C5=CC=C(C=C5)O
• Isomeric SMILES: CC1=C2C(=CC(=C1O)C(CCC3=C(C=C(C=C3)O)OC)C4=CC=C(C=C4)O)CC[C@@H](O2)C5=CC=C(C=C5)O

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