CHEBI:20712 - 6-deoxocastasterone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-deoxocastasterone
ChEBI ID CHEBI:20712
Definition A 3α-hydroxy steroid that is castasterone which is lacking the oxo substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H50O4
Net Charge 0
Average Mass 450.69420
Monoisotopic Mass 450.37091
InChI InChI=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
InChIKey VXBLCLVRWCLEOX-BFYSZXNBSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](O)[C@@H](O)C2
ChEBI Ontology
Outgoing 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 2α-hydroxy steroid (CHEBI:36858)
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 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
Manual Xrefs Databases
C00000199 KNApSAcK
C15802 KEGG COMPOUND
CPD-723 MetaCyc
LMST01030127 LIPID MAPS
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Registry Numbers Types Sources
5097016 Reaxys Registry Number Reaxys
5097016 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
14502988 PubMed citation Europe PMC
9927639 PubMed citation Europe PMC
Last Modified
04 August 2014