Dataset

1ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROST-2-ENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008152 contains the MS mass spectrum of 1ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROST-2-ENE with the InChIkey RUUMDVOLWARSAZ-VXZRPZIYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H30O2/c1-18-11-10-15-13(14(18)8-9-16(18)20)7-6-12-4-3-5-17(21)19(12,15)2/h3,5,12-17,20-21H,4,6-11H2,1-2H3/t12-,13+,14+,15+,16+,17+,18+,19+/m1/s1
SMILES [H]C(C4)=C([H])C([H])(O)C(C)(C([H])43)C([H])(C2)C([H])(CC3)C([H])(C1)C(C)(C2)C([H])(O)C1
InChI Key RUUMDVOLWARSAZ-VXZRPZIYSA-N
Molecular Formula C19H30O2
Exact Mass 290.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008152
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1S,5S,8S,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,17-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22294862 PubChem
    ZINC000137719801 ZINC
    J108.175F Nikkaji
    The data in this table is sourced from UniChem at EBI.