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4,5-bis( O-Acetyl)-3,6-di[O-benzyl]-D-myo-inositol
SpectraBase Compound ID 6sxoWYXOexz
InChI InChI=1S/C24H28O8/c1-15(25)31-23-21(29-13-17-9-5-3-6-10-17)19(27)20(28)22(24(23)32-16(2)26)30-14-18-11-7-4-8-12-18/h3-12,19-24,27-28H,13-14H2,1-2H3/t19-,20+,21-,22-,23+,24+/m1/s1
InChIKey PRHJJYDNMLRKAJ-ISGSKPSGSA-N
Mol Weight 444.48 g/mol
Molecular Formula C24H28O8
Exact Mass 444.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OmKK2R7SeS
Name 4,5-bis( O-Acetyl)-3,6-di[O-benzyl]-D-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O8
InChI InChI=1S/C24H28O8/c1-15(25)31-23-21(29-13-17-9-5-3-6-10-17)19(27)20(28)22(24(23)32-16(2)26)30-14-18-11-7-4-8-12-18/h3-12,19-24,27-28H,13-14H2,1-2H3/t19-,20+,21-,22-,23+,24+/m1/s1
InChIKey PRHJJYDNMLRKAJ-ISGSKPSGSA-N
Molecular Weight 444.480 g/mol
SMILES O[C@@]1([C@@]([C@]([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OCc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0006-9000000000-4784e64c5b59d0067492
Source of Spectrum H-2005-3107-18
Synonyms (1S,2S,3R,4R,5S,6R)-2-(acetyloxy)-3,6-bis(benzyloxy)-4,5-dihydroxycyclohexyl acetate
Wiley ID 1563090