Amorphispironon E

Base Information

• Chemical Name: Amorphispironon E
• CAS No.: 139006-28-3
• Molecular Formula: C23H22O7
• Molecular Weight: 410.423
• DSSTox Substance ID: DTXSID10160861
• Wikidata: Q83029193
• Metabolomics Workbench ID: 138841
• ChEMBL ID: CHEMBL491001

Synonyms:Amorphispironon E;amorphispironone;139006-28-3;CCRIS 7114;(12R,13R,16S)-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione;CHEMBL491001;DTXSID10160861;AKOS040735902

Chemical Property of Amorphispironon E

Chemical Property:

• Boiling Point: 670.3°Cat760mmHg
• Flash Point: 291.7°C
• Density: 1.38g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 410.13655304
• Heavy Atom Count: 30
• Complexity: 869

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OC4COC5(C4C3=O)C=C(C(=CC5=O)OC)OC)C
• Isomeric SMILES: CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4CO[C@@]5([C@@H]4C3=O)C=C(C(=CC5=O)OC)OC)C

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