Dataset

Hydrocortisonacetate

This MassBank record with Accession MSBNK-Athens_Univ-AU282805 contains the MS2 mass spectrum of Hydrocortisonacetate with the InChIkey ALEXXDVDDISNDU-JZYPGELDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
SMILES [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Key ALEXXDVDDISNDU-JZYPGELDSA-N
Molecular Formula C23H32O6
Exact Mass 404.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:16.789807
MetadataModified 2024-01-11T09:48:16.925775
MetadataPublished 2019-05-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5744 PubChem
SCHEMBL7419 SureChEMBL
MCULE-1716653767 Mcule
511222 eMolecules
29934952 eMolecules
30067439 eMolecules
PD003041 ProbesDrugs
260018 Brenda
3X7931PO74 FDA SRS
14806038 PubChem: Thomson Pharma
42016-02-4 ACToR
50-03-3 ACToR
14854997 PubChem: Thomson Pharma
LSM-19960 LINCS
hydrocortisone acetate DailyMed
43942 Brenda
CB7196805 ChemicalBook
17609 Rhea
DB14539 DrugBank
C02821 KEGG Ligand
CHEMBL1091 ChEMBL
SAM002264618 NIH Clinical Collection
17609 ChEBI
HYDROCORTISONE ACETATE DailyMed
ZZZGCU CCDC
CORTIFOAM rxnorm
MICORT-HC rxnorm
HYDROCORTISONE ACETATE rxnorm
EPIFOAM rxnorm
MICORT-HC clinicaltrials
CORTIFOAM clinicaltrials
ORABASE HCA clinicaltrials
HYDROCORTISONE 21-ACETATE clinicaltrials
HYDROCORTISONE ACETATE clinicaltrials
HY-B1183 MedChemExpress
LMST02030093 LipidMaps
4213 DrugCentral
ZINC000003875333 ZINC
J4.096G Nikkaji
50474607 BindingDB
The data in this table is sourced from UniChem at EBI.