Isomarasmone

Base Information

• Chemical Name: Isomarasmone
• CAS No.: 122458-05-3
• Molecular Formula: C15H18 O5
• DSSTox Substance ID: DTXSID801102287
• Metabolomics Workbench ID: 109942
• Wikidata: Q104198937
• Mol file: 122458-05-3.mol

Synonyms:Isomarasmone;CHEBI:174656;DTXSID801102287;122458-05-3;2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-dione;6H,9H-Benzo[e]furo[2,3,4-cd]isobenzofuran-6,9-dione, 2,4,4a,5,7,8,10a,10b-octahydro-8-hydroxy-5,5-dimethyl-, (4aS,8S,8aR,10aR,10bS)-

Chemical Property of Isomarasmone

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 278.11542367
• Heavy Atom Count: 20
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CC=C3COC4C3C2(C(CC1=O)O)C(=O)O4)C