Dataset

Parasorboside.hmbc

Chemical Info

molecular Image

InChI	InChI=1S/C12H20O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h5-7,9-13,15-17H,2-4H2,1H3/t5?,6-,7?,9+,10-,11?,12+/m0/s1
SMILES	CC1C[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)CC(=O)O1
InChI Key	MGRDPWLWGQMMGX-VTMSYMOKSA-N

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p43.s261.d1515
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1515
Version
Author	Christoph Selg, David Geißler, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataCreated	2024-04-22T15:55:05.060107
MetadataModified	2024-04-22T15:55:05.060112
MetadataPublished	2023-12-24 22:12:17

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : D2O acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K irradiation frequency : 700.18 MHz , 176.060401 MHz magnetic field strength : 16.444844184625595 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcetgpl2nd.ber Spectral Width : 4.76066630489778 , 180 number of data points : 2 points relaxation time measurement : 3 seconds