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Glycerol - triricineoleate
SpectraBase Compound ID G08SSGh6Cyr
InChI InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25+,35-26+,36-27+
InChIKey ZEMPKEQAKRGZGQ-GXCCKLQBSA-N
Mol Weight 933.4 g/mol
Molecular Formula C57H104O9
Exact Mass 932.768035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBh147xHfiV
Name Glycerol - triricineoleate
Alternate Name(s) (E)-12-hydroxy-9-octadecenoic acid 2,3-bis[(E)-12-hydroxy-1-oxooctadec-9-enoxy]propyl ester 2,3-bis[[(E)-12-hydroxyoctadec-9-enoyl]oxy]propyl (E)-12-hydroxyoctadec-9-enoate 2,3-bis[[(E)-12-oxidanyloctadec-9-enoyl]oxy]propyl (E)-12-oxidanyloctadec-9-enoate
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Formula C57H104O9
InChI InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25+,35-26+,36-27+
InChIKey ZEMPKEQAKRGZGQ-GXCCKLQBSA-N
Molecular Weight 933.450 g/mol
SMILES OC(C\C=C\CCCCCCCC(OCC(COC(CCCCCCC\C=C\CC(O)CCCCCC)=O)OC(=O)CCCCCCC\C=C\CC(O)CCCCCC)=O)CCCCCC
SPLASH splash10-0ir0-0694171100-37791920880c4a7cebb9
Source of Spectrum X4-22-517-0
Wiley ID 1586024