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1D-(+)-1-O-Allyl-2,3,6-tri-O-benzyl-myo-inositol

View entire compound with spectra: 1 MS (GC)

1D-(+)-1-O-Allyl-2,3,6-tri-O-benzyl-myo-inositol
SpectraBase Compound ID GhDC26Fe0f4
InChI InChI=1S/C30H34O6/c1-2-18-33-29-27(34-19-22-12-6-3-7-13-22)25(31)26(32)28(35-20-23-14-8-4-9-15-23)30(29)36-21-24-16-10-5-11-17-24/h2-17,25-32H,1,18-21H2/t25-,26-,27+,28+,29-,30+/m0/s1
InChIKey XNALBFNGXGXZNF-XBSCKGQLSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H34O6
Exact Mass 490.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jKLs8xWsdq
Name 1D-(+)-1-O-Allyl-2,3,6-tri-O-benzyl-myo-inositol
Alternate Name(s) (1S,2S,3R,4S,5R,6R)-4-(allyloxy)-3,5,6-tris(benzyloxy)-1,2-cyclohexanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O6
InChI InChI=1S/C30H34O6/c1-2-18-33-29-27(34-19-22-12-6-3-7-13-22)25(31)26(32)28(35-20-23-14-8-4-9-15-23)30(29)36-21-24-16-10-5-11-17-24/h2-17,25-32H,1,18-21H2/t25-,26-,27+,28+,29-,30+/m0/s1
InChIKey XNALBFNGXGXZNF-XBSCKGQLSA-N
Molecular Weight 490.596 g/mol
SMILES O[C@@]1([C@]([C@]([C@]([C@@]([C@]1(O)[H])(OCc1ccccc1)[H])(OCC=C)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9100000000-72cc16bee53b0b2dd8a0
Source of Spectrum KC-1992-2905-5
Wiley ID 777053