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D-allo-Inositol, 3-(carboxymethylamino)-2,3-dideoxy-5,6-O-(1-methylethylidene)-, intramol. 3,4-ester
SpectraBase Compound ID BNjzlN12SSx
InChI InChI=1S/C11H17NO5/c1-11(2)16-8-6(13)4-5-7(9(8)17-11)15-10(14)12(5)3/h5-9,13H,4H2,1-3H3/t5-,6+,7-,8+,9+/m0/s1
InChIKey IBCWPTFIOXSIEB-KVEIKIFDSA-N
Mol Weight 243.26 g/mol
Molecular Formula C11H17NO5
Exact Mass 243.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpbjMwVobxc
Name D-allo-Inositol, 3-(carboxymethylamino)-2,3-dideoxy-5,6-O-(1-methylethylidene)-, intramol. 3,4-ester
Alternate Name(s) (3aR,4R,5aS,8aS,8bR)-4-hydroxy-2,2,6-trimethylhexahydro[1,3]dioxolo[4,5-g][1,3]benzoxazol-7(3aH)-one (3aS,5R,6R,7R,7aS)-5,6,7-trihydroxy-6,7-O-isopropylidene-N-methylcyclohexano[d][1,3]oxazolidin-2-one 1,3-Dioxolo[4,5-g]benzoxazole, D-allo-inositol deriv.
CAS Registry Number 73111-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO5
InChI InChI=1S/C11H17NO5/c1-11(2)16-8-6(13)4-5-7(9(8)17-11)15-10(14)12(5)3/h5-9,13H,4H2,1-3H3/t5-,6+,7-,8+,9+/m0/s1
InChIKey IBCWPTFIOXSIEB-KVEIKIFDSA-N
Molecular Weight 243.259 g/mol
SMILES O[C@@]1(C[C@]2([C@@]([C@@]3([C@@]1(OC(O3)(C)C)[H])[H])(OC(=O)N2C)[H])[H])[H]
SPLASH splash10-004i-9660000000-82b262096eae41c42805
Source of Spectrum H-62-2429-0
Wiley ID 1245905