Dataset

Rubterolone A (HJ555).hsqc

Rubterolone A (HJ555)

Chemical Info

molecular Image
InChI InChI=1S/C21H19NO8/c1-6-4-9-12(7(2)22-6)16(25)10-5-11(23)14-18(17(26)13(9)10)30-20-21(14,28)19(27)15(24)8(3)29-20/h4-5,8,15,19-20,22,24,27-28H,1-3H3
SMILES CC1=CC2=C3C(=O)C4=C(C(=O)C=C3C(=O)C2=C(C)N1)C1(O)C(O4)OC(C)C(O)C1O
InChI Key WHKAHOPJQDTUOK-UHFFFAOYSA-N
Molecular Formula C21H19NO8
Exact Mass 413.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p6.s44.d132
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D132
Version
Author Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C.
Maintainer
Language english
MetadataCreated 2024-04-22T16:46:07.524390
MetadataModified 2024-09-23T09:35:39.359987
MetadataPublished 2022-10-28 10:01:50
Field Value
Measurement Technique heteronuclear single quantum 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 : 298 K

magnetic field strength : 14.098298464259486 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : hsqcetgp

Spectral Width : [16.0183045844754, 219.354558569603]

number of data points : 28 points

relaxation time measurement : 1.5 seconds