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CHEBI:79964 - 6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone

ChEBI IDCHEBI:79964
ChEBI Name6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Stars
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12C[C@@H](O)C34CC3CC[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]12C=CC(=O)O2
InChIInChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1
InChIKeyOUBYDRMNFCCAQT-CNGBPTJQSA-N
ChEBI Ontology
Outgoing Relation(s)
6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone (CHEBI:79964) is a androstanoid (CHEBI:50402)
Manual XrefsDatabases
C15467KEGG COMPOUND
Registry NumbersSources
CAS:7247-99-6KEGG COMPOUND