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4,5,6-Tri-O-Benzyl-3-deoxy-1,2-O-isopropylidene-myo-inositol
SpectraBase Compound ID 7I2GBMO8Xzn
InChI InChI=1S/C30H34O5/c1-30(2)34-26-18-25(31-19-22-12-6-3-7-13-22)27(32-20-23-14-8-4-9-15-23)29(28(26)35-30)33-21-24-16-10-5-11-17-24/h3-17,25-29H,18-21H2,1-2H3/t25-,26-,27+,28-,29-/m1/s1
InChIKey GJDMUOXBSBZSEJ-XYPQWYOHSA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzUW8Lccz82
Name 4,5,6-Tri-O-Benzyl-3-deoxy-1,2-O-isopropylidene-myo-inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-30(2)34-26-18-25(31-19-22-12-6-3-7-13-22)27(32-20-23-14-8-4-9-15-23)29(28(26)35-30)33-21-24-16-10-5-11-17-24/h3-17,25-29H,18-21H2,1-2H3/t25-,26-,27+,28-,29-/m1/s1
InChIKey GJDMUOXBSBZSEJ-XYPQWYOHSA-N
Molecular Weight 474.597 g/mol
SMILES [C@@]12([C@@]([C@]([C@](OCc3ccccc3)(C[C@]1(OC(O2)(C)C)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-ee4964f53c69cfa57700
Source of Spectrum F-54-14907-7
Synonyms 1D-4,5,6-Tri-O-Benzyl-3-deoxy-1,2-O-isopropylidene-myo-inositol 4,5,6-tris(benzyloxy)-2,2-dimethylhexahydro-1,3-benzodioxole
Wiley ID 804381