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)
	twig (BTO:0001411)	PubMed (21954912)	95% Ethanolic extract of air-dried, powdered leaves and twigs.
	leaf (BTO:0000713)	PubMed (21954912)	95% Ethanolic extract of air-dried, powdered leaves and twigs.

Roles Classification

Biological Roles:

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

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

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