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D-glycero-D-allo-Heptonic acid, 3,6-anhydro-2-deoxy-2-methyl-4,5-O-(1-methylethylidene)-, ethyl ester
SpectraBase Compound ID ArV8dkw6u7T
InChI InChI=1S/C13H22O6/c1-5-16-12(15)7(2)9-11-10(8(6-14)17-9)18-13(3,4)19-11/h7-11,14H,5-6H2,1-4H3/t7?,8-,9+,10?,11-/m1/s1
InChIKey ZMBUXSLMAHCKPC-ACWRHBLHSA-N
Mol Weight 274.31 g/mol
Molecular Formula C13H22O6
Exact Mass 274.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LM5V66a3nXW
Name D-glycero-D-allo-Heptonic acid, 3,6-anhydro-2-deoxy-2-methyl-4,5-O-(1-methylethylidene)-, ethyl ester
Alternate Name(s) Furo[3,4-d]-1,3-dioxole, D-glycero-D-allo-heptonic acid deriv. 2,3-O-isopropylidene-.beta.-D-1'-(1'-ethoxycarbonyl)ethylriboside ethyl 3,6-anhydro-2-deoxy-2-methyl-4,5-O-(1-methylethylidene)-L-talo-heptonate
CAS Registry Number 116458-04-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O6
InChI InChI=1S/C13H22O6/c1-5-16-12(15)7(2)9-11-10(8(6-14)17-9)18-13(3,4)19-11/h7-11,14H,5-6H2,1-4H3/t7?,8-,9+,10?,11-/m1/s1
InChIKey ZMBUXSLMAHCKPC-ACWRHBLHSA-N
Molecular Weight 274.313 g/mol
SMILES OC[C@@]1(C2[C@@]([C@@](O1)(C(C(=O)OCC)C)[H])(OC(C)(C)O2)[H])[H]
SPLASH splash10-0a4i-0090000000-af9509d6d924ae404b62
Source of Spectrum KC-1988-435-2
Wiley ID 1277855