Dataset

Nitogenin[5]

This dataset contains NMR spectra obtained for the sample containing Nitogenin

Chemical Information

molecular Image
InChI InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20?,21?,22?,23?,24?,25+,26+,27-/m1/s1
SMILES C[C@H]1CC[C@]2(OC1)OC1CC3C4CC=C5C[C@H](O)CC[C@@]5(C)C4CC[C@@]3(C)C1[C@H]2C
InChI Key WQLVFSAGQJTQCK-IIVSHGRXSA-N
Exact Mass 414.600 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p53.s1291.d5623
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5623
Version
Author Anna Rudo, Hans‐Ullrich Siehl, Klaus‐Peter Zeller, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2025-08-31T12:33:35.000000Z
Related Molecule
  • (5'R,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    29936949 eMolecules
    PD002291 ProbesDrugs
    103804678 PubChem: Thomson Pharma
    6708723 PubChem
    60001974 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.