Dataset

Betulic acid.hmbc

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s235.d1354
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1354
Version
Author Peter Spiteller
Maintainer
Language english
MetadataCreated 2024-04-22T16:13:03.403239
MetadataModified 2024-09-23T09:32:21.999466
MetadataPublished 2023-12-24 21:57:47
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

Temperature : 300 K

magnetic field strength : 16.44413958677142 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf

Spectral Width : [9.01678806938998, 199.984554888321]

number of data points : 10 points

relaxation time measurement : 2 seconds