Dataset

1,9-dideoxyforskolin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82367 contains the MS mass spectrum of 1,9-dideoxyforskolin with the InChIkey ZKZMDXUDDJYAIB-SUCLLAFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1
SMILES CC(=O)O[C@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)([C@@H]3[C@@]1(O[C@@](CC3=O)(C)C=C)C)C)O
InChI Key ZKZMDXUDDJYAIB-SUCLLAFCSA-N
Molecular Formula C22H34O5
Exact Mass 378.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82367
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL519570 ChEMBL
    50295 ChEBI
    LMPR0104030009 LipidMaps
    ZINC000001319840 ZINC
    DTXSID5040384 EPA CompTox Dashboard
    4100 Guide to Pharmacology
    OAW710HWIX FDA SRS
    SCHEMBL905267 SureChEMBL
    MTBLC50295 Metabolights
    107948 PubChem
    70021403 NMRShiftDB
    16882599 PubChem: Thomson Pharma
    1,9 dideoxy forskolin Atlas
    64657-18-7 ACToR
    PD047365 ProbesDrugs
    30488033 eMolecules
    The data in this table is sourced from UniChem at EBI.