Microcephalin

Base Information

• Chemical Name: Microcephalin
• CAS No.: 5945-43-7
• Molecular Formula: C15H22 O4
• Molecular Weight: 266.33
• NSC Number: 85245
• DSSTox Substance ID: DTXSID00292746
• Nikkaji Number: J15.952B
• Wikidata: Q82031176
• ChEMBL ID: CHEMBL1976740
• Mol file: 5945-43-7.mol

Synonyms:5945-43-7;Microcephalin;NSC85245;(3ar,4ar,5r,8s,8ar,9ar)-5,8-dihydroxy-5,8a-dimethyl-3-methylidenedecahydronaphtho[2,3-b]furan-2(3h)-one;CHEMBL1976740;DTXSID00292746;NSC-85245;NCI60_041875

Chemical Property of Microcephalin

Chemical Property:

• Vapor Pressure: 4.54E-10mmHg at 25°C
• Boiling Point: 452°C at 760 mmHg
• Flash Point: 168.7°C
• PSA: 66.76000
• Density: 1.23g/cm³
• LogP: 1.40620
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2(C1CC3C(C2)OC(=O)C3=C)C)O)O
• Isomeric SMILES: C[C@]1(CC[C@@H]([C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O)O

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