Dataset

PCC9009_Schanbacher_ACBderivatives_cmp_EZ3Anhydrocyanobacterin E[18]

Chemical Information

InChI	InChI=1S/C23H23ClO5/c1-13(2)21-17(9-15-10-18(24)22(28-4)19(25)11-15)23(26)29-20(21)12-14-5-7-16(27-3)8-6-14/h5-8,10-13,25H,9H2,1-4H3/b20-12-
SMILES	COC1=CC=C(/C=C2\OC(=O)C(CC3=CC(O)=C(OC)C(Cl)=C3)=C2C(C)C)C=C1
InChI Key	VHUBOYCFXUJPKE-NDENLUEZSA-N

Data and Resources

• PCC9009_Schanbacher_ACBderivatives_cmp_EZ3Anhyd...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p112.s1163.d5082
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D5082
Version
Author
Maintainer
Language	english
MetadataPublished	2025-05-13T09:35:59.000000Z
Related Molecule

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) Temperature : 300.0001 K magnetic field strength : 14.095010340939984 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : MFnoesy Spectral Width : [16.6629780387615, 13.8858150323012] number of data points : 11 points relaxation time measurement : 1.3 seconds

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