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1-O-Benzyl-2-desoxy-2-fluoro-3,4,5,6-tetra-O-hexyl-scyllo-inositol
SpectraBase Compound ID KDEKpQjbFh
InChI InChI=1S/C37H65FO5/c1-5-9-13-20-26-39-33-32(38)34(43-30-31-24-18-17-19-25-31)36(41-28-22-15-11-7-3)37(42-29-23-16-12-8-4)35(33)40-27-21-14-10-6-2/h17-19,24-25,32-37H,5-16,20-23,26-30H2,1-4H3/t32-,33-,34+,35+,36-,37-/m0/s1
InChIKey WUIVQZHCQSVFNV-QWSSYYLQSA-N
Mol Weight 608.9 g/mol
Molecular Formula C37H65FO5
Exact Mass 608.481603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3P5YQFkArgu
Name 1-O-Benzyl-2-desoxy-2-fluoro-3,4,5,6-tetra-O-hexyl-scyllo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H65FO5
InChI InChI=1S/C37H65FO5/c1-5-9-13-20-26-39-33-32(38)34(43-30-31-24-18-17-19-25-31)36(41-28-22-15-11-7-3)37(42-29-23-16-12-8-4)35(33)40-27-21-14-10-6-2/h17-19,24-25,32-37H,5-16,20-23,26-30H2,1-4H3/t32-,33-,34+,35+,36-,37-/m0/s1
InChIKey WUIVQZHCQSVFNV-QWSSYYLQSA-N
Molecular Weight 608.920 g/mol
SMILES [C@@]1([C@]([C@](OCCCCCC)([C@]([C@@]([C@]1(OCCCCCC)[H])(OCCCCCC)[H])(OCCCCCC)[H])[H])(F)[H])(OCc1ccccc1)[H]
SPLASH splash10-004l-9070000000-fa4e875ffc50191bf9e4
Source of Spectrum K-126-1712-18
Wiley ID 1410785