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CHEBI:68391 - (22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol

ChEBI IDCHEBI:68391
ChEBI Name(22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Stars
ASCII Name(22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol
DefinitionA 3-hydroxy steroid that is 24,26-cyclo-19-norcholesta-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
FormulaC26H36O
Net Charge0
Average Mass364.573
Monoisotopic Mass364.27662
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C3CC3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C26H36O/c1-16(4-5-18-14-17(18)2)24-10-11-25-23-8-6-19-15-20(27)7-9-21(19)22(23)12-13-26(24,25)3/h4-5,7,9,15-18,22-25,27H,6,8,10-14H2,1-3H3/b5-4+/t16-,17?,18?,22-,23-,24-,25+,26-/m1/s1
InChIKeyZZBNLFUDCSYRKU-AVZIUENRSA-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)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68391) has role coral metabolite (CHEBI:76498)
(22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68391) is a 3-hydroxy steroid (CHEBI:36834)
(22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68391) is a cyclopropanes (CHEBI:51454)
IUPAC Name 
(17β)-17-[(2R,3E)-4-(2-methylcyclopropyl)but-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry NumbersSources
Reaxys:21306704Reaxys
Citations