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CHEBI:20710 - 3-dehydro-6-deoxoteasterone

ChEBI IDCHEBI:20710
ChEBI Name3-dehydro-6-deoxoteasterone
Stars
Definition6-Deoxoteasterone in which the hydroxy group at position 3 has been oxidised to the corresponding ketone.
Last Modified3 January 2022
DownloadsMolfile
FormulaC28H48O3
Net Charge0
Average Mass432.689
Monoisotopic Mass432.36035
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
InChIKeyURNVSZVQLKHKDE-WAFXAADMSA-N
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-6-deoxoteasterone (CHEBI:20710) has functional parent teasterone (CHEBI:26863)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 22-hydroxy steroid (CHEBI:36863)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 23-hydroxy steroid (CHEBI:36866)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a 3-oxo-5α-steroid (CHEBI:13601)
3-dehydro-6-deoxoteasterone (CHEBI:20710) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22R,23R)-22,23-dihydroxy-5α-campestan-3-one
Synonyms  Source
(22R,23R,24S)-22,23-dihydroxy-5α-ergostan-3-oneIUPAC
3-oxo-campestan-22R,23R-diolLIPID MAPS
(5α,22R,23R,24S)-22,23-dihydroxyergostan-3-oneChEBI
UniProt Name  Source
3-dehydro-6-deoxoteasteroneUniProt
Manual XrefsDatabases
LMST01030125LIPID MAPS
C15800KEGG COMPOUND
C00007274KNApSAcK
Registry NumbersSources
Beilstein:7387822Beilstein
Citations