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(5S)-3-(1'-Hydroxy-11'-(3-azido-5-(azidomethyl)-benzamido)undecan-1'-ylidene)-5-((R)-1''-((triisopropylsilyl)-oxy)ethyl)-1-methylpyrrolidine-2,4-dione
SpectraBase Compound ID L9IuufAORkO
InChI InChI=1S/C35H56N8O5Si/c1-23(2)49(24(3)4,25(5)6)48-26(7)32-33(45)31(35(47)43(32)8)30(44)17-15-13-11-9-10-12-14-16-18-38-34(46)28-19-27(22-39-41-36)20-29(21-28)40-42-37/h19-21,23-26,32,44H,9-18,22H2,1-8H3,(H,38,46)/t26-,32+/m1/s1
InChIKey HQSOTOWOZABINU-DICHSLLOSA-N
Mol Weight 697.0 g/mol
Molecular Formula C35H56N8O5Si
Exact Mass 696.414293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7pAQU08NhF
Name (5S)-3-(1'-Hydroxy-11'-(3-azido-5-(azidomethyl)-benzamido)undecan-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.
Exact Mass 696.414293465 u
Formula C35H56N8O5Si
InChI InChI=1S/C35H56N8O5Si/c1-23(2)49(24(3)4,25(5)6)48-26(7)32-33(45)31(35(47)43(32)8)30(44)17-15-13-11-9-10-12-14-16-18-38-34(46)28-19-27(22-39-41-36)20-29(21-28)40-42-37/h19-21,23-26,32,44H,9-18,22H2,1-8H3,(H,38,46)/t26-,32+/m1/s1
InChIKey HQSOTOWOZABINU-DICHSLLOSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3026737
Molecular Weight 696.969 g/mol
Optical Rotation [a]D25 = -59 (c = 0.8, CH2Cl2)
Quality 178
Reported Formula C35H56N8O5Si
SMILES N(C(C1=CC(N=[N+]=[N-])=CC(=C1)CN=[N+]=[N-])=O)CCCCCCCCCCC(O)=C1C([C@@](N(C1=O)C)([C@](O[Si](C(C)C)(C(C)C)C(C)C)(C)[H])[H])=O
SPLASH splash10-0udi-7930604000-3383a3d8883745caf7f0
Source of Spectrum JOC-78-2460-22 (DOI: 10.1021/jo3026737)
Wiley ID 1912376