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(5S)-3-((2'R,6'E)-1'-Hydroxy-2'-methylocten-1'-ylidene)-5-((R)-1''-((triisopropylsilyl)oxy)ethyl)-1-methylpyrrolidine-2,4-dione

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(5S)-3-((2'R,6'E)-1'-Hydroxy-2'-methylocten-1'-ylidene)-5-((R)-1''-((triisopropylsilyl)oxy)ethyl)-1-methylpyrrolidine-2,4-dione
SpectraBase Compound ID FiK2DXfWPxo
InChI InChI=1S/C25H45NO4Si/c1-11-12-13-14-15-19(8)23(27)21-24(28)22(26(10)25(21)29)20(9)30-31(16(2)3,17(4)5)18(6)7/h11-12,16-20,22,27H,13-15H2,1-10H3/b12-11+,23-21?/t19-,20-,22+/m1/s1
InChIKey FRCUVSUBLAMMRL-PMLCQMNISA-N
Mol Weight 451.7 g/mol
Molecular Formula C25H45NO4Si
Exact Mass 451.311785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AXNwwqZumH
Name (5S)-3-((2'R,6'E)-1'-Hydroxy-2'-methylocten-1'-ylidene)-5-((R)-1''-((triisopropylsilyl)oxy)ethyl)-1-methylpyrrolidine-2,4-dione
Appearance Red oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45NO4Si
InChI InChI=1S/C25H45NO4Si/c1-11-12-13-14-15-19(8)23(27)21-24(28)22(26(10)25(21)29)20(9)30-31(16(2)3,17(4)5)18(6)7/h11-12,16-20,22,27H,13-15H2,1-10H3/b12-11+,23-21?/t19-,20-,22+/m1/s1
InChIKey FRCUVSUBLAMMRL-PMLCQMNISA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3026737
Molecular Weight 451.723 g/mol
Optical Rotation [a]D28 = -63 (c = 1, CH2Cl2)
Quality 40
Reported Formula C25H45NO4Si
SMILES OC(=C1C(N([C@](C1=O)([C@](O[Si](C(C)C)(C(C)C)C(C)C)(C)[H])[H])C)=O)[C@@](CCC\C=C\C)(C)[H]
SPLASH splash10-0a4i-0542900000-eee24111c9f8e8ff5abc
Source of Spectrum JOC-78-2459-18a (DOI: 10.1021/jo3026737)
Wiley ID 1912372