Dataset

Hydroxysafflor yellow A[5]

This dataset contains NMR spectra obtained for the sample containing Hydroxysafflor yellow A

Chemical Information

molecular Image
InChI InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-33,35-38,40-41H,7-8H2/b6-3+,14-11+/t12?,13?,16-,17-,19+,20+,21+,22+,23+,26-,27-/m1/s1
SMILES O=C1C([C@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)=C(O)[C@](O)([C@H]2OC(CO)[C@H](O)[C@@H](O)[C@H]2O)C(=O)/C1=C(O)\C=C\C1=CC=C(O)C=C1
InChI Key FMUKFODCTRTDKV-QTXNFXEQSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p51.s1294.d5640
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5640
Version
Author
Maintainer
Language english
MetadataPublished 2025-08-31T13:42:32.000000Z
Related Molecule
  • nfdi4chem-mol1618 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

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