Dataset

17-ALPHA-HYDROXYPROGESTERONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005735 contains the MS mass spectrum of 17-ALPHA-HYDROXYPROGESTERONE with the InChIkey DBPWSSGDRRHUNT-CEGNMAFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES O=C(C4)C([H])=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)(C(C)=O)C1
InChI Key DBPWSSGDRRHUNT-CEGNMAFCSA-N
Molecular Formula C21H30O3
Exact Mass 330.219 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-JP005735
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60020604 NMRShiftDB
    PD002763 ProbesDrugs
    3QZ PDBe
    21807M87J2 FDA SRS
    14899801 PubChem: Thomson Pharma
    68-96-2 ACToR
    14919861 PubChem: Thomson Pharma
    17ahprgstrn Recon
    510122 eMolecules
    29917743 eMolecules
    SCHEMBL8068 SureChEMBL
    6238 PubChem
    MCULE-1412596642 Mcule
    90717 Brenda
    5088 Brenda
    1170 Brenda
    13758 Brenda
    HMDB0000374 Human Metabolome Database
    17252 Rhea
    CB5181560 ChemicalBook
    CB8181561 ChemicalBook
    DB14570 DrugBank
    ZINC000005434436 ZINC
    MTBLC17252 Metabolights
    48450 Brenda
    90716 Brenda
    90714 Brenda
    42992 Brenda
    17252 ChEBI
    C01176 KEGG Ligand
    HYDROXYPROGESTERONE clinicaltrials
    HY-B0891 MedChemExpress
    HYDROXYPROGESTERONE DailyMed
    DTXSID6040747 EPA CompTox Dashboard
    LMST02030161 LipidMaps
    5104 Guide to Pharmacology
    J4.862C Nikkaji
    HPRGDO CCDC
    50423511 BindingDB
    CHEMBL1062 ChEMBL
    The data in this table is sourced from UniChem at EBI.