Dataset

3-O-Acetyl-11-keto-beta-boswelliasaeure[2]

This dataset contains NMR spectra obtained for the sample containing 3-O-Acetyl-11-keto-beta-boswelliasaeure

Chemical Information

molecular Image

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)
SMILES	CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4C(C)C(C)CCC4(C)CCC23C)C1(C)C(=O)O
InChI Key	HMMGKOVEOFBCAU-UHFFFAOYSA-N

Data and Resources

3-O-Acetyl-11-keto-beta-boswelliasaeure[2]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p48.s1366.d6025
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6025
Version
Author	Markus Leutzsch, Alexander Roth, Katrin Steinke, Dieter Sicker, Hans‐Ullrich Siehl, Maximilian Schmid, Klaus‐Peter Zeller, Stefan Berger
Maintainer
Language	english
MetadataPublished	2025-09-21T19:04:04.000000Z
Related Molecule

Field	Value
Measurement Technique	aptjmod
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K magnetic field strength : 16.442339494966372 Tesla number of scans : 16384 scans nuclear magnetic resonance pulse sequence : aptsp.ber Spectral Width : 220.125964479274 number of data points : 65536 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
135220	Brenda
SCHEMBL18306260	SureChEMBL
HMDB0245953	Human Metabolome Database
17973666	PubChem
PD087577	ProbesDrugs
70018395	NMRShiftDB
The data in this table is sourced from UniChem at EBI.