EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47824 - (1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol

ChEBI IDCHEBI:47824
ChEBI Name(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol
Stars
ASCII Name(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol
Last Modified19 November 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC=C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C24H36O2/c1-5-7-16(2)21-11-12-22-18(8-6-13-24(21,22)4)9-10-19-14-20(25)15-23(26)17(19)3/h5,9-10,16,20-23,25-26H,1,3,6-8,11-15H2,2,4H3/b18-9+,19-10-/t16-,20-,21-,22+,23+,24-/m1/s1
InChIKeyDLAROWCGUOELFW-MSGYDIBBSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol (CHEBI:47824) is a hydroxycalciol (CHEBI:47042)
IUPAC Name 
(1S,3R,5Z,7E)-9,10-secochola-5,7,10,23-tetraene-1,3-diol
Synonyms  Source
25,26,27-trinor-23-ene-1α(OH)D3ChEBI
25,26,27-trinor-23-ene-1α-hydroxyvitamin D3ChEBI
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcholecalciferolChEBI
Registry NumbersSources
Beilstein:10493197Beilstein