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CHEBI:79407 - 16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone

ChEBI IDCHEBI:79407
ChEBI Name16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone
Stars
DownloadsMolfile
FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(c3ccco3)O[C@]21C(C)=O
InChIInChI=1S/C27H34O5/c1-16(28)27-23(31-26(4,32-27)22-6-5-13-30-22)15-21-19-8-7-17-14-18(29)9-11-24(17,2)20(19)10-12-25(21,27)3/h5-6,13-14,19-21,23H,7-12,15H2,1-4H3/t19-,20+,21+,23-,24+,25+,26?,27-/m1/s1
InChIKeyPDWGBWJIJZYLQQ-IIJNRFJRSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone (CHEBI:79407) is a corticosteroid hormone (CHEBI:36699)
Manual XrefsDatabases
C14880KEGG COMPOUND
Registry NumbersSources
CAS:7148-96-1KEGG COMPOUND