CHEBI:67908 - rel-2α,3β,23-trihydroxy-12,17-dien-28-norursane

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ChEBI Name rel-2α,3β,23-trihydroxy-12,17-dien-28-norursane
ChEBI ID CHEBI:67908
ChEBI ASCII Name rel-2alpha,3beta,23-trihydroxy-12,17-dien-28-norursane
Definition A pentacyclic triterpenoid based on a ursane-type nortriterpene skeleton isolated from the leaves of found in Rosa laevigata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46O3
Net Charge 0
Average Mass 442.67370
Monoisotopic Mass 442.34470
InChI InChI=1S/C29H46O3/c1-17-7-8-19-11-13-28(5)20(24(19)18(17)2)9-10-23-26(3)15-21(31)25(32)27(4,16-30)22(26)12-14-29(23,28)6/h9,17-18,21-23,25,30-32H,7-8,10-16H2,1-6H3/t17-,18+,21-,22-,23-,25+,26+,27+,28-,29-/m1/s1
InChIKey RATDBJVTTWMKNB-PRDJCCBUSA-N
SMILES C[C@@H]1CCC2=C([C@H]1C)C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Metabolite of Species Details
Rosa laevigata (NCBI:txid74652) Found in leaf (BTO:0000713). 70% EtOH extract of dried leaves 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 rel-2α,3β,23-trihydroxy-12,17-dien-28-norursane (CHEBI:67908) has role plant metabolite (CHEBI:76924)
rel-2α,3β,23-trihydroxy-12,17-dien-28-norursane (CHEBI:67908) is a pentacyclic triterpenoid (CHEBI:25872)
rel-2α,3β,23-trihydroxy-12,17-dien-28-norursane (CHEBI:67908) is a triol (CHEBI:27136)
IUPAC Name
rel-(2R,3R,4R,4aR,6aR,6bS,11R,12S,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,14,14a,14b-octadecahydropicene-2,3-diol
Registry Number Type Source
21523355 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21384845 PubMed citation Europe PMC
Last Modified
27 May 2015