Dataset

Ginsenoside Rg1 600 MHz in CD3OD NMR data.hmbc

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 Info

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.d1064
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1064
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T15:34:48.146606
MetadataModified 2024-09-23T09:28:08.638053
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique heteronuclear multiple bond 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 : 297.9439 K

magnetic field strength : 14.09548007284277 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : hmbcgplpndqf

Spectral Width : [7.99030581236564, 160.049857142855]

number of data points : [2048, 512] points

relaxation time measurement : 1 seconds

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