Dataset

Glycyrrhetinic acid:Enoxolone 900_400MHz DMSOd6 NMR data.hsqc

NMR data for glycyrrhetinic acid (Enoxolone) in DMSO-d6. The dataset contains the 1D 1H and 13C, as well as 2D COSY, HSQC, HMBC acquired at 900MHz (Bruker Avance spectrometer, equipped with cryoprobe 5 mm CPTCI); in addition, 1D: 1H and 13C acquired at 400 MHz (Jeol Spectrometer, equipped with Royal probe) are provided. (2019-04-24)

https://doi.org/10.7910/DVN/DONK0D, Harvard Dataverse, V1

Chemical Info

InChI	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23?,26+,27-,28-,29-,30+/m0/s1
SMILES	CC1(C)[C@@H](O)CC[C@]2(C)C3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]12
InChI Key	MPDGHEJMBKOTSU-QKGDNMKNSA-N

Data and Resources

Glycyrrhetinic acid:Enoxolone 900_400MHz...HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p33.s209.d1079
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D1079
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:59:25.095659
MetadataModified	2024-09-23T09:36:50.948965
MetadataPublished	2023-12-21 14:26:13

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : hsqcetgpsisp2 Spectral Width : number of data points : points relaxation time measurement : seconds

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