Ajugacumbin F

Base Information

• Chemical Name: Ajugacumbin F
• CAS No.: 132922-44-2
• Molecular Formula: C25H38O7
• Molecular Weight: 450.565
• Nikkaji Number: J353.975J
• Wikidata: Q27138214
• ChEMBL ID: CHEMBL1813862

Synonyms:Ajugacumbin F;CHEBI:69873;132922-44-2;[(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate;CHEMBL1813862;Q27138214;[(1S,2R,4S,4aR,5R,8aR)-4,5-dihydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl (2E)-2-methylbut-2-enoate

Chemical Property of Ajugacumbin F

Chemical Property:

• Vapor Pressure: 3.22E-18mmHg at 25°C
• Boiling Point: 624.6°C at 760 mmHg
• Flash Point: 206°C
• Density: 1.172g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 450.26175355
• Heavy Atom Count: 32
• Complexity: 802

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OCC12C(CCCC1(CO)O)C(C(CC2O)C)(C)CCC3=CC(=O)OC3
• Isomeric SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@@]1(CO)O)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC3=CC(=O)OC3

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