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3-(5-Allyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methylbutyl methyl 2,3,4-tris-O-(trimethylsilyl)hexopyranosiduronate
SpectraBase Compound ID EWUSPr1Af4H
InChI InChI=1S/C30H56N2O10Si3/c1-16-17-30(27(34)31(4)29(36)32(5)28(30)35)19(2)18-20(3)38-26-24(42-45(13,14)15)22(41-44(10,11)12)21(40-43(7,8)9)23(39-26)25(33)37-6/h16,19-24,26H,1,17-18H2,2-15H3/t19?,20?,21-,22-,23-,24+,26+/m0/s1
InChIKey IFDKBMPZNAIPCQ-KSOIJAATSA-N
Mol Weight 689.0 g/mol
Molecular Formula C30H56N2O10Si3
Exact Mass 688.324276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUgox1iknJp
Name 3-(5-Allyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methylbutyl methyl 2,3,4-tris-O-(trimethylsilyl)hexopyranosiduronate
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Formula C30H56N2O10Si3
InChI InChI=1S/C30H56N2O10Si3/c1-16-17-30(27(34)31(4)29(36)32(5)28(30)35)19(2)18-20(3)38-26-24(42-45(13,14)15)22(41-44(10,11)12)21(40-43(7,8)9)23(39-26)25(33)37-6/h16,19-24,26H,1,17-18H2,2-15H3/t19?,20?,21-,22-,23-,24+,26+/m0/s1
InChIKey IFDKBMPZNAIPCQ-KSOIJAATSA-N
Molecular Weight 689.037 g/mol
SMILES C1(N(C(C(C(N1C)=O)(C(CC(O[C@]1([C@@]([C@@](O[Si](C)(C)C)([C@@]([C@](O1)(C(=O)OC)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])[H])C)C)CC=C)=O)C)=O
SPLASH splash10-00xr-9350000000-d0e59a2032c0ae4e5a01
Source of Spectrum JZ-1992-5374-0
Synonyms Hydroxysecobarbital glucuronide 1,3-di-methyl deriv. methyl este, tris(O-trimethylsilyl)-
Wiley ID 1414602