About This Item
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+1,3+1,4+1,6+1,7+1,9+1,10+1,12+1,13+1,15+1,16+1,18+1,19+1,21+1,22+1,24+1,25+1,27+1,28+1,30+1,31+1,33+1,34+1,36+1,37+1,39+1,40+1,42+1,43+1,45+1,46+1,48+1,49+1,51+1,55+1,57+1
SMILES string
O=C(CCCCCCC/C=C\CCCCCCCC)OCC(O[13C]([13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3])=O)CO[13C]([13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][1
InChI key
PHYFQTYBJUILEZ-FAHXWPFJSA-N
isotopic purity
≥99% 13C
assay
≥97% (CP)
form
liquid
technique(s)
bio NMR: suitable
mass shift
M+36
storage temp.
−20°C
Related Categories
Packaging
Storage Class
10 - Combustible liquids not in Storage Class 3
wgk
awg
flash_point_f
626.0 °F - closed cup
flash_point_c
330.0 °C - closed cup
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