Dechloromycorrhizin, (1'Z)-

Base Information

• Chemical Name: Dechloromycorrhizin, (1'Z)-
• CAS No.: 161815-17-4
• Molecular Formula: C14H16 O4
• UNII: P2F6J0P8G8
• Wikidata: Q27286043
• Metabolomics Workbench ID: 116000
• Mol file: 161815-17-4.mol

Synonyms:(1'Z)-Dechloromycorrhizin A;Dechloromycorrhizin, (1'Z)-;P2F6J0P8G8;(1'Z)-dechloromycorrhizin;UNII-P2F6J0P8G8;CCRIS 7939;161815-17-4;Q27286043;1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-5-(1Z)-1-PROPENYL-, (1AR,3AS,7AS)-;1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-5-5-(1-PROPENYL)-, (1AR-(1A.ALPHA.,3A.BETA.,5(Z),7AS*))-

Chemical Property of Dechloromycorrhizin, (1'Z)-

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 248.10485899
• Heavy Atom Count: 18
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CC1=CC(=O)C23CC2C(OC3(C1=O)O)(C)C
• Isomeric SMILES: C/C=C\C1=CC(=O)[C@]23C[C@H]2C(O[C@@]3(C1=O)O)(C)C