Dataset

3-o-acetyl-11-keto-b-boswelliasaure.hmbc

Chemical Information

molecular Image
InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25-,26+,28+,29-,30+,31+,32+/m1/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C(=O)C=C2[C@H]4[C@@H](C)[C@H](C)CC[C@@]4(C)CC[C@@]23C)[C@]1(C)C(=O)O
InChI Key HMMGKOVEOFBCAU-JEUONYAPSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p48.s268.d1574
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1574
Version
Author Markus Leutzsch, Alexander Roth, Katrin Steinke, Dieter Sicker, Hans‐Ullrich Siehl, Maximilian Schmid, Klaus‐Peter Zeller, Stefan Berger
Maintainer
Language english
MetadataPublished 2023-12-26 20:48:24
Related Molecule
  • nfdi4chem-mol7599 (Unknown Molecule)
    • 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 : 298 K

    magnetic field strength : 16.444844184625595 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : hmbcetgpl2nd

    Spectral Width : [7.96985829293776, 220]

    number of data points : 7 points

    relaxation time measurement : 2 seconds

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