CHEBI:68895 - 24-ethylcholesta-4,22-dien-3-one

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ChEBI Name 24-ethylcholesta-4,22-dien-3-one
ChEBI ID CHEBI:68895
Definition A 3-oxo steroid that is cholesta-4,22-dien-3-one substituted by an oxo group at position 3. It has been isolated from Croton gratissimus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46O
Net Charge 0
Average Mass 410.67490
Monoisotopic Mass 410.35487
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey MKGZDUKUQPPHFM-KBEOWXOMSA-N
SMILES CCC(C(C)C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Croton gratissimus (NCBI:txid316784) Found in leaf (BTO:0000713). Combined hexane,methylene chloride,ethyl acetate and methanol extract of ground leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 24-ethylcholesta-4,22-dien-3-one (CHEBI:68895) has role metabolite (CHEBI:25212)
24-ethylcholesta-4,22-dien-3-one (CHEBI:68895) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name
(22E,24ξ)-stigmasta-4,22-dien-3-one
Registry Number Type Source
15766024 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22032651 PubMed citation Europe PMC
Last Modified
04 May 2017