Hexadecanoic acid, (6-(2,3-dimethyl-1-oxobutoxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-10a-((1-oxododecyl)oxy)-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester

Base Information

• Chemical Name: Hexadecanoic acid, (6-(2,3-dimethyl-1-oxobutoxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-10a-((1-oxododecyl)oxy)-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester
• CAS No.: 135883-24-8
• Molecular Formula: C54H90 O9
• Molecular Weight: 883.29
• DSSTox Substance ID: DTXSID90929170
• Wikidata: Q105115124
• Mol file: 135883-24-8.mol

Synonyms:13-hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate-20-hexadecanoate;kansuiphorin A

Chemical Property of Hexadecanoic acid, (6-(2,3-dimethyl-1-oxobutoxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-10a-((1-oxododecyl)oxy)-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester

Chemical Property:

• Vapor Pressure: 8.25E-32mmHg at 25°C
• Boiling Point: 828.1°Cat760mmHg
• PKA: 11.09±0.70(Predicted)
• Flash Point: 217.5°C
• PSA: 136.43000
• Density: 1.07g/cm³
• LogP: 12.27710
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 33
• Exact Mass: 882.65848444
• Heavy Atom Count: 63
• Complexity: 1560

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(CC(C4(C2=O)C=C(C(C4(C1O)O)OC(=O)C(C)C(C)C)C)C)OC(=O)CCCCCCCCCCC)(C)C