Dataset

alpha-Onocerin.cosy

Chemical Information

molecular Image
InChI InChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25+,26+,29+,30+/m0/s1
SMILES C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C
InChI Key GESZMTVZGWZBPW-QVDYUEJISA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s248.d1440
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1440
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • nfdi4chem-mol2347 (Unknown Molecule)
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

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

    NMR spectrum by dimensionality : 2

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

    Temperature : 297.9 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : cosygpmfph

    Spectral Width : [8.01105393522767, 7.99951617151875]

    number of data points : 7 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.