(3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole

Base Information

• Chemical Name: (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole
• CAS No.: 39686-16-3
• Molecular Formula: C22H37N
• Molecular Weight: 315.5359
• DSSTox Substance ID: DTXSID60960292

Synonyms:1alpha-alkyldaphnane;5-phenyl-2,4-pentadionate daphnetoxin;daphnane;mezerein;tigliane-daphnane

Chemical Property of (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole

Chemical Property:

• Vapor Pressure: 3.13E-05mmHg at 25°C
• Boiling Point: 355.4°C at 760 mmHg
• Flash Point: 152.4°C
• Density: 1.02g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 315.292600184
• Heavy Atom Count: 23
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC12C3CCCC34CCC5C1(CCC(C2N4C5)C(C)C)C
• Isomeric SMILES: CCCC12[C@@H]3CCCC34CC[C@@H]5C1(CC[C@@H]([C@@H]2N4C5)C(C)C)C

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