3'-Deoxy-4-O-methylsappanol

Base Information

• Chemical Name: 3'-Deoxy-4-O-methylsappanol
• CAS No.: 112408-68-1
• Molecular Formula: C17H18O5
• Molecular Weight: 302.32
• DSSTox Substance ID: DTXSID101131312
• Nikkaji Number: J2.201.894I
• Wikidata: Q105184444
• Metabolomics Workbench ID: 141782
• ChEMBL ID: CHEMBL518739
• Mol file: 112408-68-1.mol

Synonyms:3'-Deoxy-4-O-methylsappanol;112408-68-1;3'-deoxy- 4-O-methylsappanol;(3R,4S)-3-[(4-hydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol;CHEMBL518739;DTXSID101131312;2H-1-Benzopyran-3,7-diol, 3-[(3,4-dihydroxyphenyl)methyl]-3,4-dihydro-4-methoxy-, (3R-cis)-;(3R,4S)-3-[(3,4-Dihydroxyphenyl)methyl]-3,4-dihydro-4-methoxy-2H-1-benzopyran-3,7-diol;HY-N9316;AKOS040761087;CS-0159367;3invertedexclamationmark-Deoxy-4-O-methylsappanol;3 inverted exclamation mark -Deoxy-4-O-methylsappanol;(3R)-3-(4-Hydroxybenzyl)-4beta-methoxy-3,4-dihydro-2H-1-benzopyran-3beta,7-diol;(3R,4S)-3,4-Dihydro-3-[(4-hydroxyphenyl)methyl]-4-methoxy-2H-1-benzopyran-3,7-diol

Chemical Property of 3'-Deoxy-4-O-methylsappanol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 302.11542367
• Heavy Atom Count: 22
• Complexity: 368

Purity/Quality:

95% min ^*data from raw suppliers

3'-Deoxy-4-O-methylsappanol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1C2=C(C=C(C=C2)O)OCC1(CC3=CC=C(C=C3)O)O
• Isomeric SMILES: CO[C@H]1C2=C(C=C(C=C2)O)OC[C@@]1(CC3=CC=C(C=C3)O)O