Dataset

Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]

NMR data for Curcumin Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC Spin parameters for 1H and chemical shifts of carbon Attributed 1H, 13C spectra

https://doi.org/10.7910/DVN/SKGKLL, Harvard Dataverse, V1

Chemical Information

molecular Image
InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=CC=C1O
InChI Key VFLDPWHFBUODDF-FCXRPNKRSA-N
Molecular Formula C21H20O6
Exact Mass 368.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s190.d852
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D852
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataPublished 2023-12-21T14:26:13.000000Z
Related Molecule
  • (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : DMSO-D6

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

    NMR spectrum by dimensionality : 2

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : cosy_pfg.jxp

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    DB11672 drugbank
    CHEBI:3962 chebi
    CC9 rcsb_pdb
    CHEMBL140 chembl
    13521974 surechembl
    8440 surechembl
    969516 pubchem
    IT942ZTH98 fdasrs
    PD011359 probes_and_drugs
    QUMDIN CCDC
    14060 brenda
    226236 brenda
    696 brenda
    HMDB0002269 hmdb
    1074194 bindingdb
    1074195 bindingdb
    1074196 bindingdb
    1406297 bindingdb
    406748 bindingdb
    417250 bindingdb
    50457456 bindingdb
    50465961 bindingdb
    50466037 bindingdb
    50474681 bindingdb
    50474682 bindingdb
    50474683 bindingdb
    50483204 bindingdb
    50483217 bindingdb
    50484698 bindingdb
    50489059 bindingdb
    50500263 bindingdb
    50500297 bindingdb
    50503475 bindingdb
    50522653 bindingdb
    50524209 bindingdb
    50524453 bindingdb
    50524561 bindingdb
    50723178 bindingdb
    50728304 bindingdb
    50728309 bindingdb
    50728315 bindingdb
    50807419 bindingdb
    50807425 bindingdb
    50880999 bindingdb
    50881080 bindingdb
    50990952 bindingdb
    51003071 bindingdb
    51099646 bindingdb
    51099820 bindingdb
    51105776 bindingdb
    51118988 bindingdb
    51137397 bindingdb
    51140271 bindingdb
    51141381 bindingdb
    51142761 bindingdb
    51146960 bindingdb
    51159918 bindingdb
    51170802 bindingdb
    51218785 bindingdb
    51218788 bindingdb
    51219713 bindingdb
    51220225 bindingdb
    51220235 bindingdb
    51220260 bindingdb
    51221151 bindingdb
    51221156 bindingdb
    51229729 bindingdb
    51237226 bindingdb
    51265800 bindingdb
    51284515 bindingdb
    51284538 bindingdb
    51284597 bindingdb
    51284658 bindingdb
    51284699 bindingdb
    51292023 bindingdb
    51292895 bindingdb
    51293099 bindingdb
    51293143 bindingdb
    51293144 bindingdb
    51293149 bindingdb
    51293159 bindingdb
    51293160 bindingdb
    51296152 bindingdb
    51317612 bindingdb
    51317619 bindingdb
    51317623 bindingdb
    51322724 bindingdb
    51322740 bindingdb
    51335885 bindingdb
    51339999 bindingdb
    51340004 bindingdb
    51340009 bindingdb
    51340084 bindingdb
    51340101 bindingdb
    51368459 bindingdb
    51368474 bindingdb
    51368478 bindingdb
    51368479 bindingdb
    51368480 bindingdb
    51368481 bindingdb
    51370052 bindingdb
    51371651 bindingdb
    51383632 bindingdb
    51406624 bindingdb
    51406925 bindingdb
    51475824 bindingdb
    51476117 bindingdb
    51492156 bindingdb
    51492157 bindingdb
    51492158 bindingdb
    51492169 bindingdb
    51492198 bindingdb
    51492202 bindingdb
    51494215 bindingdb
    51494409 bindingdb
    51494422 bindingdb
    51494427 bindingdb
    51506709 bindingdb
    51506721 bindingdb
    51506722 bindingdb
    51518541 bindingdb
    51519964 bindingdb
    51519965 bindingdb
    51519994 bindingdb
    51522241 bindingdb
    51522575 bindingdb
    51522631 bindingdb
    51522687 bindingdb
    51522743 bindingdb
    51522799 bindingdb
    51522855 bindingdb
    51522911 bindingdb
    51522967 bindingdb
    51523023 bindingdb
    51523079 bindingdb
    51523135 bindingdb
    51523191 bindingdb
    51523238 bindingdb
    51523273 bindingdb
    51523308 bindingdb
    51523344 bindingdb
    51523381 bindingdb
    51523418 bindingdb
    51539109 bindingdb
    51539117 bindingdb
    51540359 bindingdb
    51555441 bindingdb
    51555443 bindingdb
    51569544 bindingdb
    51575388 bindingdb
    Molport-001-763-682 molport
    The data in this table is sourced from UniChem at EBI.