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

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ChEBI Name (22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol
ChEBI ID CHEBI:68391
ChEBI ASCII Name (22E)-24,26-cyclo-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H36O
Net Charge 0
Average Mass 364.56340
Monoisotopic Mass 364.27662
InChI InChI=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
InChIKey ZZBNLFUDCSYRKU-AVZIUENRSA-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\C1CC1C
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)-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 Number Type Source
21306704 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21192715 PubMed citation Europe PMC
Last Modified
27 November 2013