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TRIHEPTADECANOIN

CAS No.:
2438-40-6
Catalog Number:
AG00BCFO
Molecular Formula:
C54H104O6
Molecular Weight:
849.4000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
≥95%
1 week
United States
$91
- +
100mg
≥95%
1 week
United States
$112
- +
500mg
≥95%
1 week
United States
$179
- +
1g
≥95%
1 week
United States
$265
- +
Product Description
Catalog Number:
AG00BCFO
Chemical Name:
TRIHEPTADECANOIN
CAS Number:
2438-40-6
Molecular Formula:
C54H104O6
Molecular Weight:
849.4000
MDL Number:
MFCD00053740
IUPAC Name:
2,3-di(heptadecanoyloxy)propyl heptadecanoate
InChI:
InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
InChI Key:
FBFWDBGUSMGXPI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC
UNII:
RQ21ORH87V
Properties
Complexity:
841  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
848.783g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
849.42g/mol
Monoisotopic Mass:
848.783g/mol
Rotatable Bond Count:
53  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23.6  
Literature
Title Journal
Lipidomics reveals multiple pathway effects of a multi-components preparation on lipid biochemistry in ApoE*3Leiden.CETP mice. PloS one 20120101
Atherosclerosis and liver inflammation induced by increased dietary cholesterol intake: a combined transcriptomics and metabolomics analysis. Genome biology 20070101
Properties