Glyceocarpin

Base Information

• Chemical Name: Glyceocarpin
• CAS No.: 77979-22-7
• Molecular Formula: C20H20O5
• Molecular Weight: 0
• UNII: 5F05942M1R
• DSSTox Substance ID: DTXSID50442592
• Nikkaji Number: J156.715B
• Wikidata: Q27121915
• Metabolomics Workbench ID: 22730
• Mol file: 77979-22-7.mol

Synonyms:Glyceocarpin;77979-22-7;2-dimethylallylglycinol;UNII-5F05942M1R;2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan;5F05942M1R;6H-Benzofuro(3,2-C)(1)benzopyran-3,6a,9(11ah)-triol, 2-(3-methyl-2-butenyl)-, (6as-cis)-;6H-Benzofuro(3,2-C)(1)benzopyran-3,6a,9(11ah)-triol, 2-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-;(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan;(6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol;(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan;(6aS,11aS)-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol;pterocarpan glyceocarpin;CHEBI:50118;DTXSID50442592;LMPK12070004;Q27121915;(6alphaS,11alphaS)-2-dimethylallyl-3,6alpha,9-trihydroxypterocarpan

Chemical Property of Glyceocarpin

Chemical Property:

• PSA: 79.15000
• LogP: 3.32020
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 340.13107373
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4)O)O)C
• Isomeric SMILES: CC(=CCC1=CC2=C(C=C1O)OC[C@@]3([C@H]2OC4=C3C=CC(=C4)O)O)C