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CHEBI:68390 - (22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol

ChEBI IDCHEBI:68390
ChEBI Name(22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol
Stars
ASCII Name(22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol
DefinitionA 3-hydroxy steroid that is (22E)-19,24-dinorcholesta-1,3,5(10),22-tetraene substituted by a hydroxy group at position 3. It is isolated from the Hainan soft coral Dendronephthya studeri.
Last Modified27 November 2013
DownloadsMolfile
FormulaC25H36O
Net Charge0
Average Mass352.562
Monoisotopic Mass352.27662
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C25H36O/c1-16(2)5-6-17(3)23-11-12-24-22-9-7-18-15-19(26)8-10-20(18)21(22)13-14-25(23,24)4/h5-6,8,10,15-17,21-24,26H,7,9,11-14H2,1-4H3/b6-5+/t17-,21-,22-,23-,24+,25-/m1/s1
InChIKeyYEJNIBFGDXBKPG-SNEYCHJSSA-N
Species of MetaboliteComponentSourceComments
Dendronephthya studeri (WORMS:289144) - PubMed (21192715) Diethylether soluble extract of frozen soft coral
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
(22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68390) has role coral metabolite (CHEBI:76498)
(22E)-19,24-dinorcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68390) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(17β)-17-[(2R,3E)-5-methylhex-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry NumbersSources
Reaxys:21306703Reaxys
Citations