Dataset

TETRAHYDROCORTISONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009700 contains the MS mass spectrum of TETRAHYDROCORTISONE with the InChIkey SYGWGHVTLUBCEM-ZIZPXRJBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
SMILES OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C2)C([H])(CC(O)C2)C1
InChI Key SYGWGHVTLUBCEM-ZIZPXRJBSA-N
Molecular Formula C21H32O5
Exact Mass 364.225 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-JP009700
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:41.978155
MetadataModified 2024-01-11T15:55:42.152431
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
30512645 eMolecules
C05470 KEGG Ligand
DTXSID70878591 EPA CompTox Dashboard
43372 Brenda
ZINC000003875358 ZINC
9901 ChEBI
LMST02030098 LipidMaps
HY-113114 MedChemExpress
5866 PubChem
14754954 PubChem: Thomson Pharma
5HF9TM2D15 FDA SRS
SCHEMBL193711 SureChEMBL
53-05-4 ACToR
PD126221 ProbesDrugs
CHEMBL1908043 ChEMBL
J4.138F Nikkaji
The data in this table is sourced from UniChem at EBI.