Dataset

Actinospirol A (6BHJ758).hmbc

Chemical Info

InChI	InChI=1S/C17H9ClO7/c1-6-5-8(19)11-12(13(6)18)17(25-16(11)23)14(20)10-7(15(21)22)3-2-4-9(10)24-17/h2-5,19H,1H3,(H,21,22)
SMILES	CC1=CC(O)=C2C(=O)OC3(OC4=CC=CC(C(=O)O)=C4C3=O)C2=C1Cl
InChI Key	XBSPICXSAXOFOV-UHFFFAOYSA-N
Molecular Formula	C17H9ClO7
Exact Mass	360.700 g/mol

Data and Resources

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Metadata Information

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• Measurement
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Field	Value
DOI	10.57992/nmrxiv.p6.s45.d133
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D133
Version
Author	Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:45:18.045457
MetadataModified	2024-09-23T09:35:31.091255
MetadataPublished	2022-10-28 10:01:50

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049 Temperature : 300 K magnetic field strength : 14.098298464259486 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [18.0292605712711, 219.354559217764] number of data points : 12 points relaxation time measurement : 1.5 seconds

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