CHEBI:69011 - 3β,22S-dihydroxytirucalla-7,24-dien-23-one

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ChEBI Name 3β,22S-dihydroxytirucalla-7,24-dien-23-one
ChEBI ID CHEBI:69011
ChEBI ASCII Name 3beta,22S-dihydroxytirucalla-7,24-dien-23-one
Definition A tirucallane triterpenoid that is tirucalla-7,24-diene substituted by hydroxy groups at positions 3 and 22 and an oxo group at position 23. It has been isolated from Dysoxylum lenticellatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-18(2)17-23(31)26(33)19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h9,17,19-21,24-26,32-33H,10-16H2,1-8H3/t19-,20+,21+,24+,25+,26+,28-,29+,30-/m1/s1
InChIKey VLJVSIPTYGANIN-YWCQBWSOSA-N
SMILES C[C@@H]([C@H](O)C(=O)C=C(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Metabolite of Species Details
Dysoxylum lenticellatum (IPNI:578201-1) Found in leaf (BTO:0000713). 95% Ethanolic extract of air-dried, powdered leaves and twigs. See: PubMed
Dysoxylum lenticellatum (IPNI:578201-1) Found in twig (BTO:0001411). 95% Ethanolic extract of air-dried, powdered leaves and twigs. See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3β,22S-dihydroxytirucalla-7,24-dien-23-one (CHEBI:69011) has role plant metabolite (CHEBI:76924)
3β,22S-dihydroxytirucalla-7,24-dien-23-one (CHEBI:69011) is a secondary α-hydroxy ketone (CHEBI:2468)
3β,22S-dihydroxytirucalla-7,24-dien-23-one (CHEBI:69011) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name
(3β,13α,14β,17α,20R,22S)-3,22-dihydroxylanosta-7,24-dien-23-one
Registry Number Type Source
8660827 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21954912 PubMed citation Europe PMC
Last Modified
06 February 2018