Dataset

Hydroxysafflor yellow A.cosy

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-/m0/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-QOOZVVKLSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p51.s271.d1585
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1585
Version
Author
Maintainer
Language english
MetadataPublished 2023-12-26 22:35:11
Related Molecule
  • nfdi4chem-mol5822 (Unknown Molecule)
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : DMSO

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0287

    Temperature : 299.9994 K

    magnetic field strength : 9.399335374742444 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : noesygpph

    Spectral Width : [24.9872064003998, 24.9872064003998]

    number of data points : 8 points

    relaxation time measurement : 3 seconds

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