Dataset

Classics_b-Glucoseamine.hsqc

Chemical Information

molecular Image
InChI InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2
SMILES C1CCC2C(C1)CCC1C3CCCC3CCC21
InChI Key UACIBCPNAKBWHX-UHFFFAOYSA-N
Molecular Formula C17H28
Exact Mass 232.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p22.s580.d3109
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3109
Version
Author Berger S, Sicker D
Maintainer
Language english
MetadataPublished 2024-06-17 10:08:04
Related Molecule
  • 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001

    Temperature : 298 K

    irradiation frequency : 399.952 MHz , 100.56801 MHz

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 2 scans

    nuclear magnetic resonance pulse sequence : hsqcetgp

    Spectral Width : 4.00687505584003 , 79.9905375337287

    number of data points : 13 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    1108 PubChem
    J2.976.206F Nikkaji
    HMDB0252914 Human Metabolome Database
    137337 ChEBI
    14994704 PubChem: Thomson Pharma
    SCHEMBL2724740 SureChEMBL
    The data in this table is sourced from UniChem at EBI.