OLEIC ACID, TETRAESTER WITH DECAGLYCEROL

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII 65QW3Z1YLJ
EPA CompTox DTXSID901014902

Structure

InChI Key NGHUOSKIZOQGBY-PMDAXIHYSA-N
Smiles CCCCCCCCC=C/CCCCCCCC(=O)OCC(COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(COC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCC=C/CCCCCCCC
InChI
InChI=1S/C102H190O25/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-99(111)124-87-97(126-101(113)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)85-122-83-95(109)81-120-79-93(107)77-118-75-91(105)73-116-71-89(103)69-115-70-90(104)72-117-74-92(106)76-119-78-94(108)80-121-82-96(110)84-123-86-98(127-102(114)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)88-125-100(112)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,89-98,103-110H,5-32,41-88H2,1-4H3/b37-33-,38-34-,39-35-,40-36-

Physicochemical Descriptors

Property Name Value
Molecular Formula C102H190O25
Molecular Weight 1815.36
AlogP 19.08
Hydrogen Bond Acceptor 25.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 102.0
Polar Surface Area 350.11
Heavy Atoms 127.0

Cross References

Resources Reference
CAS NUMBER 34424-98-1
NORMAN SUSDAT
FDA SRS 65QW3Z1YLJ
PubChem 92037871
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