Dataset

Compound_2_YAC_1F Rhodiflavan A.1d

Chemical Info

InChI	InChI=1S/C30H38O5/c1-19(2)12-15-29(16-13-20(3)4)27-25(26(32)30(34,28(29)33)17-14-21(5)6)23(31)18-24(35-27)22-10-8-7-9-11-22/h7-14,23-24,31,34H,15-18H2,1-6H3
SMILES	CC(C)=CCC1(O)C(=O)C2=C(OC(C3=CC=CC=C3)CC2O)C(CC=C(C)C)(CC=C(C)C)C1=O
InChI Key	AMZUNTHOABKHBP-UHFFFAOYSA-N

Data and Resources

• Compound_2_YAC_1F Rhodiflavan A.1dHTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p62.s445.d2323
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D2323
Version
Author	Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:49:08.801012
MetadataModified	2025-02-03T15:20:16.662421
MetadataPublished	2024-03-05 20:39:34
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTXO 13C/15N-1H/D Z-GRD Z140404/0001 Temperature : 297.9987 K magnetic field strength : 18.790826226708365 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.0303046547585 number of data points : 10 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
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