Dataset

Cepharanthine; LC-ESI-QQQ; MS; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-CB000091 contains the MS mass spectrum of Cepharanthine with the InChIkey YVPXVXANRNDGTA-WDYNHAJCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
SMILES COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
InChI Key YVPXVXANRNDGTA-WDYNHAJCSA-N
Molecular Formula C37H38N2O6
Exact Mass 606.725 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-CB000091
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16824 drugbank
    CHEBI:3546 chebi
    CHEMBL449782 chembl
    154545 surechembl
    29378091 surechembl
    29381295 surechembl
    30562981 surechembl
    10206 pubchem
    7592YJ0J6T fdasrs
    PD000940 probes_and_drugs
    MINBUK CCDC
    Molport-000-775-465 molport
    5375 drugcentral
    50423643 bindingdb
    The data in this table is sourced from UniChem at EBI.