Dataset

Classics_Galanthamine[6]

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.s578.d3097
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3097
Version
Author Berger S, Sicker D
Maintainer
Language english
MetadataPublished 2024-06-17T10:08:04.000000Z
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 multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 298 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf

    Spectral Width : [8.01105353467655, 160.055190978169]

    number of data points : 2 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.