Dataset

Colchicin.hmbc

Chemical Info

InChI	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
SMILES	COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(C)=O)C1=CC(=O)C(OC)=CC=C12
InChI Key	IAKHMKGGTNLKSZ-INIZCTEOSA-N
Molecular Formula	C22H25NO6
Exact Mass	399.400 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p27.s180.d769
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D769
Version
Author	Johannes Appun, Hans-Ullrich Siehl, Klaus-Peter Zeller, Katrin Steinke, Stefan Berger, Dieter Sicker
Maintainer
Language	english
MetadataCreated	2024-04-22T15:49:37.986223
MetadataModified	2024-09-23T09:29:38.471592
MetadataPublished	2023-12-21 14:03:48

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CD3CN acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 298 K magnetic field strength : 14.095010340939984 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : [8.97790123219792, 180.059389162154] number of data points : 4 points relaxation time measurement : 2 seconds