Dataset

Compound_5_YAC_4K Rhodacarpin.c13

A new secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O6/c1-11(2)3-4-12-5-13-16(7-15(12)22)24-9-21(23)14-6-18-19(26-10-25-18)8-17(14)27-20(13)21/h3,5-8,20,22-23H,4,9-10H2,1-2H3
SMILES CC(C)=CCC1=C(O)C=C2OCC3(O)C4=C(C=C5OCOC5=C4)OC3C2=C1
InChI Key PXAZVNUCVWQGQR-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s429.d2180
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2180
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 2024-04-22T16:20:44.978102
MetadataModified 2024-05-15T08:37:34.699280
MetadataPublished 2024-03-05 20:39:34
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : 13C

NMR spectrum by dimensionality : 1

NMR probe : 5 mm CPTXO 13C/15N-1H/D Z-GRD Z140404/0001

Temperature : 297.9993 K

magnetic field strength : 18.786823440300356 Tesla

number of scans : 2048 scans

nuclear magnetic resonance pulse sequence : zgzrse

Spectral Width : 248.510323310941

number of data points : 10 points

relaxation time measurement : 0.1 seconds