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CHEBI:20714 - 6-deoxycathasterone

Default Structure
ChEBI IDCHEBI:20714
ChEBI Name6-deoxycathasterone
Stars
DefinitionA 3β-hydroxy steroid that is cathasterone which is lacking the oxo substituent at position 6.
Last Modified17 December 2021
DownloadsMolfile
FormulaC28H50O2
Net Charge0
Average Mass418.706
Monoisotopic Mass418.38108
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[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyZHZKWZJLUNXOSN-YUZBOUAZSA-N
ChEBI Ontology
Outgoing Relation(s)
6-deoxycathasterone (CHEBI:20714) has functional parent cathasterone (CHEBI:23057)
6-deoxycathasterone (CHEBI:20714) has parent hydride 5α-campestane (CHEBI:20640)
6-deoxycathasterone (CHEBI:20714) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
6-deoxycathasterone (CHEBI:20714) is a 22-hydroxy steroid (CHEBI:36863)
6-deoxycathasterone (CHEBI:20714) is a 3β-hydroxy steroid (CHEBI:36836)
6-deoxycathasterone (CHEBI:20714) is a brassinosteroid (CHEBI:22921)
6-deoxycathasterone (CHEBI:20714) is a C28-steroid (CHEBI:188921)
IUPAC Name 
(22S)-5α-campestane-3β,22-diol
Synonym  Source
6-DeoxocathasteroneLIPID MAPS
UniProt Name  Source
6-deoxycathasteroneUniProt
Manual XrefsDatabases
C00007277KNApSAcK
C15798KEGG COMPOUND
CPD-712MetaCyc
LMST01030124LIPID MAPS
Registry NumbersSources
Reaxys:7878139Reaxys