GLYCERYL 1-OLEATE-13C18-2,3-DIOLEATE

CAS No.
CCD No.
CCD05226056
Formula
C57 H104 O6
MolWeight
903.245

Basic Information

Product Name: GLYCERYL 1-OLEATE-13C18-2,3-DIOLEATE
English Synonyms: GLYCERYL 1-OLEATE-13C18-2,3-DIOLEATE ; TRIOLEIN-(1-OLEATE-13C18)
MDL Number.: MFCD19704790
H bond acceptor: 6
H bond donor: 0
Smile: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO[13C](=O)[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3])OC(=O)CCCCCCC/C=C\CCCCCCCC
InChi: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i1+1,4+1,7+1,10+1,13+1,16+1,19+1,22+1,25+1,28+1,31+1,34+1,37+1,40+1,43+1,46+1,49+1,55+1
InChiKey: InChIKey=PHYFQTYBJUILEZ-UMEQFEBFSA-N

Property

Boiling Point: 235-240 DEG C/18 MMHG(LIT)
Density: DENSITY: 0.93 G/ML(LIT)
Physical Property: FLASHPOINT: 330 DEG C
FLASHPOINT: 626 DEG F
Comments: ASSAY METHOD: CP
MASS SHIFT: M+18
STORAGE TEMPERATURE: -20 DEG C
WGK: NWG
Information: ISOTOPIC PURITY: 99 ATOM % 13C
MW: 903.12 BY ATOM % CALCULATION

Safety information

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