CHEBI:68389 - (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol

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ChEBI Name (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol
ChEBI ID CHEBI:68389
ChEBI ASCII Name (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Definition A 3-hydroxy steroid that is (22E)-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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9463336, eMolecules:30512482, eMolecules:2726153, ZINC000003881958
Download Molfile XML SDF
Formula C26H38O
Net Charge 0
Average Mass 366.57930
Monoisotopic Mass 366.29227
InChI InChI=1S/C26H38O/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/h5,7,9,11,16-18,22-25,27H,6,8,10,12-15H2,1-4H3/b7-5+/t18-,22-,23-,24-,25+,26-/m1/s1
InChIKey OBWGUKUMNJWSCT-VBDYUURPSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\CC(C)C
Metabolite of Species Details
Dendronephthya studeri (WORMS:289144) Diethylether soluble extract of frozen soft coral See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68389) has role coral metabolite (CHEBI:76498)
(22E)-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68389) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(17β)-17-[(2R,3E)-6-methylhept-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry Number Type Source
21306705 Reaxys Registry Number Reaxys
Citation Type Source
21192715 PubMed citation Europe PMC
Last Modified
27 November 2013