Dataset

Ursolic Acid 400MHz DMSOd6 NMR data.1d

Chemical Info

InChI	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24?,27+,28-,29-,30+/m1/s1
SMILES	C[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)C(=CCC4[C@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]43C)C2[C@@H]1C
InChI Key	WCGUUGGRBIKTOS-POPPTPIPSA-N
Molecular Formula	C30H48O3
Exact Mass	456.700 g/mol

Data and Resources

• Ursolic Acid 400MHz DMSOd6 NMR data.1dHTML
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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p33.s205.d1036
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D1036
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:57:40.281099
MetadataModified	2024-09-23T09:36:42.242838
MetadataPublished	2023-12-21 14:26:13

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO-D6 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 2774 Temperature : 298.15 K magnetic field strength : 9.389766 Tesla number of scans : 4096 scans nuclear magnetic resonance pulse sequence : carbon.jxp Spectral Width : 314.0070760448474 number of data points : 32768 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEMBL3039159	ChEMBL
3001199	PubChem
PD000434	ProbesDrugs
5851745	eMolecules
85748535	PubChem: Thomson Pharma
SCHEMBL9883367	SureChEMBL
LSM-22617	LINCS
MolPort-001-740-468	MolPort
The data in this table is sourced from UniChem at EBI.