Dataset

Beclomethasone dipropionate; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002388 contains the MS mass spectrum of Beclomethasone dipropionate with the InChIkey KUVIULQEHSCUHY-XYWKZLDCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
SMILES C(C(OC(=O)CC)4C(=O)COC(=O)CC)(C3([H])CC(C)4)(CC(O)C(C23[H])(C(C=1CC2)(C=CC(=O)C1)C)Cl)C
InChI Key KUVIULQEHSCUHY-XYWKZLDCSA-N
Molecular Formula C28H37ClO7
Exact Mass 520.223 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002388
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00394 drugbank
    CHEBI:3002 chebi
    CHEMBL1200500 chembl
    6890 surechembl
    21700 pubchem
    5B307S63B2 fdasrs
    PD003134 probes_and_drugs
    WOYPAB CCDC
    265420 brenda
    HMDB0014538 hmdb
    Molport-003-983-412 molport
    294 drugcentral
    The data in this table is sourced from UniChem at EBI.