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CHEBI:68394 - (22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol

ChEBI IDCHEBI:68394
ChEBI Name(22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Stars
ASCII Name(22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
DefinitionA 3-hydroxy steroid that is (22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraene substituted by a hydroxy group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri.
Last Modified27 November 2013
DownloadsMolfile
FormulaC27H40O
Net Charge0
Average Mass380.616
Monoisotopic Mass380.30792
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-7,9,11,16-19,23-26,28H,8,10,12-15H2,1-5H3/b7-6+/t18-,19+,23+,24+,25+,26-,27+/m0/s1
InChIKeyNXXMTWFZPIADGB-DVQRTUCZSA-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,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68394) has role coral metabolite (CHEBI:76498)
(22E,24R)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68394) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(17β)-17-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry NumbersSources
Reaxys:21306706Reaxys
Citations