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CHEBI:59410 - 3-epi-6-deoxocathasterone

ChEBI IDCHEBI:59410
ChEBI Name3-epi-6-deoxocathasterone
Stars
ASCII Name3-epi-6-deoxocathasterone
DefinitionThe 3-α-hydroxy epimer of 6-deoxocathasterone.
Last Modified17 December 2021
SubmitterGareth Owen
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-LOCIZFEWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-epi-6-deoxocathasterone (CHEBI:59410) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
3-epi-6-deoxocathasterone (CHEBI:59410) is a 22-hydroxy steroid (CHEBI:36863)
3-epi-6-deoxocathasterone (CHEBI:59410) is a 3α-hydroxy steroid (CHEBI:36835)
3-epi-6-deoxocathasterone (CHEBI:59410) is a brassinosteroid (CHEBI:22921)
3-epi-6-deoxocathasterone (CHEBI:59410) is a C28-steroid (CHEBI:188921)
IUPAC Name 
(22S,24R)-5α-ergostane-3α,22-diol
Synonyms  Source
(3α,5α,22S,24R)-ergostane-3,22-diolChEBI
3-epi-6-DeoxocathasteroneKEGG COMPOUND
UniProt Name  Source
3-epi-6-deoxocathasteroneUniProt
Manual XrefsDatabases
C16251KEGG COMPOUND
Registry NumbersSources
Beilstein:8522106Beilstein
Citations