CID 6449904

Base Information

• Chemical Name: CID 6449904
• CAS No.: 62820-11-5
• Molecular Formula: C29H36O6
• Molecular Weight: 480.5925

Synonyms:1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-2-hydroxy-6-(hydroxymethyl)-3,8,8,10a-tetramethyl-5-oxo-4aH-cyclopenta(3,4)cyclopropa(8,9)cycloundec(1,2-b)oxiren-4a-yl ester;jolkinol A

Chemical Property of CID 6449904

Chemical Property:

• Vapor Pressure: 2.04E-17mmHg at 25°C
• Boiling Point: 643.1°Cat760mmHg
• Flash Point: 210.1°C
• PSA: 96.36000
• Density: 1.25g/cm³
• LogP: 3.71000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 480.25118886
• Heavy Atom Count: 35
• Complexity: 930

Purity/Quality:

>=95% ^*data from raw suppliers

JolkinolA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C(C1O)C3C(O3)(CCC4C(C4(C)C)C=C(C2=O)CO)C)OC(=O)C=CC5=CC=CC=C5
• Isomeric SMILES: CC1CC2(C(C1O)C3C(O3)(CCC4C(C4(C)C)/C=C(\C2=O)/CO)C)OC(=O)/C=C/C5=CC=CC=C5

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