Dataset

Betamethasone-17-valerate

This MassBank record with Accession MSBNK-Athens_Univ-AU283301 contains the MS2 mass spectrum of Betamethasone-17-valerate with the InChIkey SNHRLVCMMWUAJD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3
SMILES CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO
InChI Key SNHRLVCMMWUAJD-UHFFFAOYSA-N
Molecular Formula C27H37FO6
Exact Mass 476.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU283301
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:01:33.401033
MetadataModified 2025-02-08T19:11:42.691186
MetadataPublished 2019-05-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
578771 PubChem
10893036 eMolecules
SCHEMBL221479 SureChEMBL
PD055686 ProbesDrugs
MCULE-1450194230 Mcule
CHEMBL3186310 ChEMBL
HMDB0249157 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.