Dataset

Caledonixanthone N.2d

Chemical Info

InChI	InChI=1S/C18H16O6/c1-7-18(2,3)11-13(21)10-12(20)8-5-4-6-9(19)15(8)24-16(10)14(22)17(11)23-7/h4-7,19,21-22H,1-3H3
SMILES	CC1OC2=C(O)C3=C(C(O)=C2C1(C)C)C(=O)C1=CC=CC(O)=C1O3
InChI Key	YNLIMFOLNGEMEO-UHFFFAOYSA-N

Data and Resources

• Caledonixanthone N.2dHTML
  Explore

  • More information
  • Go to resource

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p64.s451.d2349
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2349
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:33:06.401233
MetadataModified	2025-02-03T15:33:06.401238
MetadataPublished	2024-06-18 12:01:00
Related Molecule

Field	Value
Measurement Technique	2d
Measurement Variables	NMR solvent : ACETONE-D6 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 2774 Temperature : 294.45 K irradiation frequency : 399.79256015247455 MHz , 100.54933803934405 MHz magnetic field strength : 9.389766 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : hmbc.jxp Spectral Width : 23.75913755462969 , 250.19477286470737 number of data points : 2048 points relaxation time measurement : 1.5 seconds

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