Dataset

Ginsenoside Rg1 600 MHz in CD3OD NMR data[Ginsenoside_3110ug200uL_HSQC_600MHz_Bruker]

NMR data of ginsenoside Rg1 in CD3OD. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 600 MHz Bruker 600 MHz spectrometer with CryoProbe (CP DCH 600S3 C/H-D-05 Z) (2019-10-07)

https://doi.org/10.7910/DVN/Y9A6DJ, Harvard Dataverse, V1

Chemical Information

molecular Image
InChI InChI=1S/C42H72O15/c1-20(2)10-9-15-53-42(8,57-37-34(52)32(50)30(48)25(19-44)56-37)21-11-14-40(6)28(21)22(45)16-26-39(5)13-12-27(46)38(3,4)35(39)23(17-41(26,40)7)54-36-33(51)31(49)29(47)24(18-43)55-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
SMILES CC(C)=CCCO[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
InChI Key OQRGKZFCNVNNHS-HHNZYBFYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s208.d1068
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1068
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataPublished 2023-12-21T14:26:13.000000Z
Related Molecule
  • nfdi4chem-mol1682 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : MeOD

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

    NMR spectrum by dimensionality : 2

    NMR probe : Z75004_0010 (CP DCH 600S3 C/H-D-05 Z)

    Temperature : 298.0421 K

    magnetic field strength : 14.09548007284277 Tesla

    number of scans : 6 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3

    Spectral Width : [5.99368742951552, 219.398417184727]

    number of data points : [2048, 256] points

    relaxation time measurement : 1 seconds

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