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1,2-Anhydro-3,6-bis(O-benzyl)-4,5-diisopropyl-myo-inositol
SpectraBase Compound ID 2rvfrPQYaGx
InChI InChI=1S/C23H26O5/c1-23(2)27-21-17(24-13-15-9-5-3-6-10-15)19-20(26-19)18(22(21)28-23)25-14-16-11-7-4-8-12-16/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-,20+,21+,22+/m1/s1
InChIKey BZJLKRVUQGUXMR-UQOPEDAQSA-N
Mol Weight 382.46 g/mol
Molecular Formula C23H26O5
Exact Mass 382.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbDDELAv4ld
Name 1,2-Anhydro-3,6-bis(O-benzyl)-4,5-diisopropyl-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O5
InChI InChI=1S/C23H26O5/c1-23(2)27-21-17(24-13-15-9-5-3-6-10-15)19-20(26-19)18(22(21)28-23)25-14-16-11-7-4-8-12-16/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-,20+,21+,22+/m1/s1
InChIKey BZJLKRVUQGUXMR-UQOPEDAQSA-N
Molecular Weight 382.456 g/mol
SMILES [C@@]12([C@]([C@@](OCc3ccccc3)([C@]3([C@]([C@@]1(OCc1ccccc1)[H])(OC(C)(C)O3)[H])[H])[H])(O2)[H])[H]
SPLASH splash10-0006-9100000000-899c96b5b58e20098a07
Source of Spectrum K1-2003-1970-38
Wiley ID 1521023