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Methyl ester-n-propylamide-DMIPS-ether derivative of 11-dehydro-txb3
SpectraBase Compound ID GpQxpKIx14f
InChI InChI=1S/C39H77NO6Si3/c1-16-18-21-24-34(44-47(10,11)31(3)4)27-28-36(45-48(12,13)32(5)6)35(25-22-19-20-23-26-39(42)43-9)37(30-38(41)40-29-17-2)46-49(14,15)33(7)8/h18-19,21-22,27-28,31-37H,16-17,20,23-26,29-30H2,1-15H3,(H,40,41)/b21-18-,22-19-,28-27+/t34-,35+,36?,37?/m0/s1
InChIKey PFNPGPIRNKEMMK-FJOLZBDNSA-N
Mol Weight 740.3 g/mol
Molecular Formula C39H77NO6Si3
Exact Mass 739.505869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnD9vkFLj8X
Name Methyl ester-n-propylamide-DMIPS-ether derivative of 11-dehydro-txb3
Alternate Name(s) 11-dehydorthromboxane B3 methyl ester-n-propylamide-dimethylisopropylsilyl ether derivateve Methyl (5Z,8S,10E,12S,14Z)-9,12-bis{[isopropyl(dimethyl)silyl]oxy}-8-[1-{[isopropyl(dimethyl)silyl]oxy}-3-oxo-3-(propylamino)propyl]-5,10,14-heptadecatrienoate Methyl 8-(1-dimethylisopropylsilyloxy-2N-n-propylcarbamoyl)ethyl-9,12-dimethylisopropylsilyloxy-heptadeca-5,10,14-trienoate-ether derivative of 11-dehydro-thromboxane B3
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Formula C39H77NO6Si3
InChI InChI=1S/C39H77NO6Si3/c1-16-18-21-24-34(44-47(10,11)31(3)4)27-28-36(45-48(12,13)32(5)6)35(25-22-19-20-23-26-39(42)43-9)37(30-38(41)40-29-17-2)46-49(14,15)33(7)8/h18-19,21-22,27-28,31-37H,16-17,20,23-26,29-30H2,1-15H3,(H,40,41)/b21-18-,22-19-,28-27+/t34-,35+,36?,37?/m0/s1
InChIKey PFNPGPIRNKEMMK-FJOLZBDNSA-N
Molecular Weight 740.301 g/mol
SMILES N(C(CC(O[Si](C(C)C)(C)C)[C@@](C(O[Si](C(C)C)(C)C)\C=C\[C@@](O[Si](C(C)C)(C)C)(C\C=C/CC)[H])(C\C=C/CCCC(=O)OC)[H])=O)CCC
SPLASH splash10-0f8a-0092877100-3322a35232c911793b46
Source of Spectrum O-30-0-0
Wiley ID 1416086