Dataset

Betulic acid.cosy

Chemical Info

InChI	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
SMILES	C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI Key	QGJZLNKBHJESQX-FZFNOLFKSA-N
Molecular Formula	C30H48O3
Exact Mass	456.700 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p42.s235.d1355
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1355
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:13:06.102207
MetadataModified	2024-04-22T16:13:06.102214
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 300 K irradiation frequency : 700.15 MHz , 700.15 MHz magnetic field strength : 16.44413958677142 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpmfph Spectral Width : 9.01678806938998 , 8.99974310139492 number of data points : 5 points relaxation time measurement : 2 seconds