Shinpterocarpin

Base Information

• Chemical Name: Shinpterocarpin
• CAS No.: 157414-04-5
• Molecular Formula: C20H18 O4
• UNII: QNW54SFH39
• Nikkaji Number: J2.519.854I
• Wikidata: Q27287385
• ChEMBL ID: CHEMBL591773
• Mol file: 157414-04-5.mol

Synonyms:Shinpterocarpin;UNII-QNW54SFH39;QNW54SFH39;157414-04-5;2H,6H-Benzofuro(3,2-C)pyrano(2,3-H)(1)benzopyran-9-ol, 6a,11a-dihydro-2,2-dimethyl-, (6aR,7bR)-;CHEMBL591773;Q27287385;2,2-Dimethyl-6aalpha,11aalpha-dihydro-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-9-ol

Chemical Property of Shinpterocarpin

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 322.12050905
• Heavy Atom Count: 24
• Complexity: 530

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC(=C5)O)C
• Isomeric SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC[C@@H]4[C@H]3OC5=C4C=CC(=C5)O)C