Isotetrahydroauroglaucin

Base Information

• Chemical Name: Isotetrahydroauroglaucin
• CAS No.: 74886-32-1
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.414
• UNII: PI808Y7L4H
• ChEMBL ID: CHEMBL462798
• DSSTox Substance ID: DTXSID501149602
• Metabolomics Workbench ID: 136090
• Wikidata: Q27137180

Synonyms:isotetrahydroauroglaucin;Auroglaucin, isotetrahydro-;74886-32-1;UNII-PI808Y7L4H;PI808Y7L4H;CHEBI:68789;Benzaldehyde, 2-(5E)-5-hepten-1-yl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)-;2-[(E)-hept-5-enyl]-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde;CHEMBL462798;DTXSID501149602;Q27137180;2-(5E)-5-Hepten-1-yl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)benzaldehyde;2-[(5E)-hept-5-en-1-yl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

Chemical Property of Isotetrahydroauroglaucin

Chemical Property:

• PSA: 57.53000
• LogP: 4.70790
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 302.18819469
• Heavy Atom Count: 22
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCCCC1=C(C=C(C(=C1C=O)O)CC=C(C)C)O
• Isomeric SMILES: C/C=C/CCCCC1=C(C=C(C(=C1C=O)O)CC=C(C)C)O

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