Dataset

1-DEHYDROTESTOSTERONE BENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011423 contains the MS mass spectrum of 1-DEHYDROTESTOSTERONE BENZOATE with the InChIkey QYOIZDDZJSQWGQ-IXKNJLPQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
SMILES C(=C1[H])(C5)C(C(C4([H])C5)([H])CCC(C4([H])2)(C)C([H])(OC(=O)c(c3)cccc3)CC2)(C)C(=C(C1=O)[H])[H]
InChI Key QYOIZDDZJSQWGQ-IXKNJLPQSA-N
Molecular Formula C26H30O3
Exact Mass 390.219 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-JP011423
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:24.598267
MetadataModified 2024-01-11T15:55:24.771011
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J224.839E Nikkaji
14550546 PubChem
ZINC000034317653 ZINC
The data in this table is sourced from UniChem at EBI.