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CHEBI:68397 - 19-norcholesta-1,3,5(10)-trien-3-ol

ChEBI IDCHEBI:68397
ChEBI Name19-norcholesta-1,3,5(10)-trien-3-ol
Stars
DefinitionA 3-hydroxy steroid that is 19-norcholesta-1,3,5(10)-triene substituted by a hydroxy group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri.
Last Modified27 November 2013
DownloadsMolfile
FormulaC26H40O
Net Charge0
Average Mass368.605
Monoisotopic Mass368.30792
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C26H40O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h9,11,16-18,22-25,27H,5-8,10,12-15H2,1-4H3/t18-,22-,23-,24-,25+,26-/m1/s1
InChIKeyHIGFJBWLJMUGFT-XTNBKHNLSA-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)
19-norcholesta-1,3,5(10)-trien-3-ol (CHEBI:68397) has role coral metabolite (CHEBI:76498)
19-norcholesta-1,3,5(10)-trien-3-ol (CHEBI:68397) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(17β)-17-[(2R)-6-methylheptan-2-yl]estra-1,3,5(10)-trien-3-ol
Registry NumbersSources
Reaxys:3159805Reaxys
Citations