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CHEBI:20712 - 6-deoxocastasterone

ChEBI IDCHEBI:20712
ChEBI Name6-deoxocastasterone
Stars
DefinitionA 3α-hydroxy steroid that is castasterone which is lacking the oxo substituent at position 6.
Last Modified17 December 2021
DownloadsMolfile
FormulaC28H50O4
Net Charge0
Average Mass450.704
Monoisotopic Mass450.37091
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)C[C@@H](O)[C@@H](O)C2
InChIInChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
InChIKeyVXBLCLVRWCLEOX-BFYSZXNBSA-N
ChEBI Ontology
Outgoing Relation(s)
6-deoxocastasterone (CHEBI:20712) has functional parent castasterone (CHEBI:23051)
6-deoxocastasterone (CHEBI:20712) has parent hydride 5α-campestane (CHEBI:20640)
6-deoxocastasterone (CHEBI:20712) is a 22-hydroxy steroid (CHEBI:36863)
6-deoxocastasterone (CHEBI:20712) is a 23-hydroxy steroid (CHEBI:36866)
6-deoxocastasterone (CHEBI:20712) is a 2α-hydroxy steroid (CHEBI:36858)
6-deoxocastasterone (CHEBI:20712) is a 3α-hydroxy steroid (CHEBI:36835)
6-deoxocastasterone (CHEBI:20712) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22R,23R)-5α-campestane-2α,3α,22,23-tetraol
UniProt Name  Source
6-deoxocastasteroneUniProt
Manual XrefsDatabases
LMST01030127LIPID MAPS
C15802KEGG COMPOUND
CPD-723MetaCyc
C00000199KNApSAcK
Registry NumbersSources
Reaxys:5097016Reaxys
Citations