3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69010)

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CHEBI:69010 - 3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone

ChEBI ID	CHEBI:69010
ChEBI Name	3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Stars
Definition	A tetracyclic triterpenoid found in Dysoxylum lenticellatum.
Last Modified	14 November 2013
Downloads	Molfile

Formula	C26H40O3
Net Charge	0
Average Mass	400.603
Monoisotopic Mass	400.29775
SMILES	[H][C@]1([C@]2([H])CC[C@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)COC(=O)C1
InChI	InChI=1S/C26H40O3/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)27)9-13-25(4)17(8-12-26(19,25)5)16-14-22(28)29-15-16/h6,16-18,20-21,27H,7-15H2,1-5H3/t16-,17+,18+,20+,21-,24-,25+,26-/m1/s1
InChIKey	JUXMUKOXQMUUKD-NGKMTSHWSA-N

Species of Metabolite	Component	Source	Comments
Dysoxylum lenticellatum (IPNI:578201-1)
	leaf (BTO:0000713)	PubMed (21954912)	95% Ethanolic extract of air-dried, powdered leaves and twigs.
	twig (BTO:0001411)	PubMed (21954912)	95% Ethanolic extract of air-dried, powdered leaves and twigs.

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69010) has role metabolite (CHEBI:25212)
	3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69010) has role plant metabolite (CHEBI:76924)
	3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69010) is a butan-4-olide (CHEBI:22950)
	3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone (CHEBI:69010) is a tetracyclic triterpenoid (CHEBI:26893)

IUPAC Name
(3α,5α,13α,17α,20S)-3-hydroxy-4,4,14-trimethylcard-7-enolide

Synonym	Source
3α-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone	ChEBI

Manual Xrefs	Databases
26636633	ChemSpider

Registry Numbers	Sources
Reaxys:21456890	Reaxys

Citations