Dataset

3-o-acetyl-11-keto-b-boswelliasaure.hsqc

Chemical Info

InChI	InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25-,26+,28+,29-,30+,31+,32+/m1/s1
SMILES	CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C(=O)C=C2[C@H]4[C@@H](C)[C@H](C)CC[C@@]4(C)CC[C@@]23C)[C@]1(C)C(=O)O
InChI Key	HMMGKOVEOFBCAU-JEUONYAPSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p48.s268.d1572
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1572
Version
Author	Markus Leutzsch, Alexander Roth, Katrin Steinke, Dieter Sicker, Hans‐Ullrich Siehl, Maximilian Schmid, Klaus‐Peter Zeller, Stefan Berger
Maintainer
Language	english
MetadataCreated	2024-04-22T16:12:55.506857
MetadataModified	2024-09-23T09:32:21.459598
MetadataPublished	2023-12-26 20:48:24

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 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 magnetic field strength : 16.444844184625595 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp Spectral Width : [7.96985829293776, 140] number of data points : 5 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.