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D-myo-Inositol, 6-O-(phenylmethyl)-, 4-[(1-phenylethyl)carbamate], [4(R)]-
SpectraBase Compound ID JOHkoZECA1t
InChI InChI=1S/C22H27NO7/c1-13(15-10-6-3-7-11-15)23-22(28)30-21-18(26)16(24)17(25)20(19(21)27)29-12-14-8-4-2-5-9-14/h2-11,13,16-21,24-27H,12H2,1H3,(H,23,28)/t13?,16-,17+,18-,19+,20-,21-/m1/s1
InChIKey NAZLKDDMLOXHFC-IHXJUHSHSA-N
Mol Weight 417.46 g/mol
Molecular Formula C22H27NO7
Exact Mass 417.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9ENjfiSFKv
Name D-myo-Inositol, 6-O-(phenylmethyl)-, 4-[(1-phenylethyl)carbamate], [4(R)]-
Alternate Name(s) (1R,2S,3R,4S,5R,6R)-3-(benzyloxy)-2,4,5,6-tetrahydroxycyclohexyl 1-phenylethylcarbamate 1-L-4-O-benzyl-6-O-{[(R)-1-phenylethyl]aminocarbonyl}-myo-inositol
CAS Registry Number 120268-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO7
InChI InChI=1S/C22H27NO7/c1-13(15-10-6-3-7-11-15)23-22(28)30-21-18(26)16(24)17(25)20(19(21)27)29-12-14-8-4-2-5-9-14/h2-11,13,16-21,24-27H,12H2,1H3,(H,23,28)/t13?,16-,17+,18-,19+,20-,21-/m1/s1
InChIKey NAZLKDDMLOXHFC-IHXJUHSHSA-N
Molecular Weight 417.458 g/mol
SMILES O[C@@]1([C@@]([C@@]([C@]([C@@]([C@@]1(OC(NC(c1ccccc1)C)=O)[H])(O)[H])(OCc1ccccc1)[H])(O)[H])(O)[H])[H]
SPLASH splash10-0a4i-0900000000-6cb2becdabd2066e6474
Source of Spectrum H-71-1375-10
Wiley ID 1376831