Dataset

Ginsenoside Rb1 400/600 MHz in DMSOd6 NMR data.2d

NMR data for ginsenoside Rb1 contains: 1D: 1H, 13C 2D: COSY, HSQC acquired 400 MHz, as well as 1D: 1H, 13C, PureShift 2D: HMBC acquired 600 MHz in DMSOd6 (2019-10-07)

https://doi.org/10.7910/DVN/Z5G0WB, Harvard Dataverse, V1

Chemical Info

molecular Image
InChI InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,25-,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46-,47+,48?,49+,51+,52-,53-,54+/m1/s1
SMILES CC(C)=CCC[C@](C)(OC1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChI Key GZYPWOGIYAIIPV-MLWUZGTESA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s202.d995
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D995
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T16:56:21.465512
MetadataModified 2024-09-23T09:36:31.300290
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique 2d
Measurement Variables
NMR solvent : DMSO-D6

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

NMR spectrum by dimensionality : 2

NMR probe : 2774

Temperature : 298.15 K

magnetic field strength : 9.389766 Tesla

number of scans : 4 scans

nuclear magnetic resonance pulse sequence : cosy_pfg.jxp

Spectral Width : [13.761894815973884, 11.000800429903302]

number of data points : 5120 points

relaxation time measurement : 1.5 seconds

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