Dataset

6alpha-Methylprednisolone

This MassBank record with Accession MSBNK-BAFG-CSL2311095283 contains the MS2 mass spectrum of 6alpha-Methylprednisolone with the InChIkey VHRSUDSXCMQTMA-PJHHCJLFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14
InChI Key VHRSUDSXCMQTMA-PJHHCJLFSA-N
Molecular Formula C22H30O5
Exact Mass 374.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095283
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:56:50.928127
MetadataModified 2024-01-11T10:56:51.080356
MetadataPublished 2023-11-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables