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CHEBI:63468 - tirucalla-7,24-dien-3β-ol

ChEBI IDCHEBI:63468
ChEBI Nametirucalla-7,24-dien-3β-ol
Stars
ASCII Nametirucalla-7,24-dien-3beta-ol
DefinitionA tirucallane triterpenoid that is tirucalla-7,24-diene substituted by a β-hydroxy group at position 3.
Last Modified24 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)CCC=C(C)C)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1
InChIKeyDICCPNLDOZNSML-CEEMYSEHSA-N
Species of MetaboliteComponentSourceComments
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 Role:
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)
tirucalla-7,24-dien-3β-ol (CHEBI:63468) has role plant metabolite (CHEBI:76924)
tirucalla-7,24-dien-3β-ol (CHEBI:63468) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S)-lanosta-7,24-dien-3β-ol
Synonyms  Source
5α-tirucalla-7,24-dien-3β-olChEBI
tirucalladienolChEBI
Δ7-tirucallolChEBI
(3β,13α,14β,17α,20S)-lanosta-7,24-dien-3-olIUPAC
UniProt Name  Source
tirucalla-7,24-dien-3β-olUniProt
Registry NumbersSources
Reaxys:2340080Reaxys
Citations