Dataset

Norgestrel

This MassBank record with Accession MSBNK-UFZ-WANA221301AD6CPH contains the MS2 mass spectrum of Norgestrel with the InChIkey WWYNJERNGUHSAO-CULCCENASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21?/m0/s1
SMILES [H][C@@]12CCC(O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
InChI Key WWYNJERNGUHSAO-CULCCENASA-N
Molecular Formula C21H28O2
Exact Mass 312.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA221301AD6CPH
Version
Author
Maintainer
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MetadataPublished 2023-08-12
Related Molecule
  • (8R,9S,10R,13S,14S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    norgestrel DailyMed
    NORGESTREL DailyMed
    OVRETTE clinicaltrials
    WY-3707 clinicaltrials
    NORGESTREL clinicaltrials
    NORGESTREL rxnorm
    16051930 PubChem
    6533-00-2 ACToR
    CHEMBL2107797 ChEMBL
    PD071709 ProbesDrugs
    SCHEMBL37118 SureChEMBL
    The data in this table is sourced from UniChem at EBI.