For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Sugar
SpectraBase Compound ID LXuUsjbdAM0
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
Mol Weight 342.3 g/mol
Molecular Formula C12H22O11
Exact Mass 342.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GtsxQKBSRHm
Name Sucrose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 100405-08-1 104242-10-6 131932-12-2 146054-35-5 146187-04-4 151756-02-4 220376-22-7 29253-78-9 29764-06-5 30027-72-6 47167-52-2 47185-09-1 47257-91-0 50857-68-6 51909-69-4 57-50-1 64533-66-0 65545-99-5 75398-84-4 76056-38-7 78654-77-0 80165-03-3 8027-47-2
ChEBI ID 17992
Comments 100 mM sucrose - vendor: Sigma s9378; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C12H22O11
IUPAC Name (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey CZMRCDWAGMRECN-UGDNZRGBSA-N
KEGG Compound ID C00089
KEGG Pathways PATH: map00052 Galactose metabolism PATH: map00500 Starch and sucrose metabolism PATH: map02060 Phosphotransferase system (PTS) PATH: map04742 Taste transduction
PubChem Compound ID 5988
SMILES C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
Source File Reference bmse000119