CHEBI:69509 - 2α-acetoxy-28-acetylrubiarboside G

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ChEBI Name 2α-acetoxy-28-acetylrubiarboside G
ChEBI ID CHEBI:69509
ChEBI ASCII Name 2alpha-acetoxy-28-acetylrubiarboside G
Definition A triterpenoid saponin with an arborinane-type terpenoid as the aglycone. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H74O17
Net Charge 0
Average Mass 899.06960
Monoisotopic Mass 898.49260
InChI InChI=1S/C46H74O17/c1-20(2)24-14-26(51)38-45(9)11-10-23-31(44(45,8)12-13-46(24,38)19-59-21(3)48)25(50)15-30-42(5,6)39(27(60-22(4)49)16-43(23,30)7)63-41-37(57)35(55)33(53)29(62-41)18-58-40-36(56)34(54)32(52)28(17-47)61-40/h10,20,24-41,47,50-57H,11-19H2,1-9H3/t24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,43+,44-,45+,46+/m0/s1
InChIKey AOBLQNHRIORKQD-OWMKJQNQSA-N
SMILES CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) has role plant metabolite (CHEBI:76924)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a β-D-glucoside (CHEBI:22798)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a acetate ester (CHEBI:47622)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a diol (CHEBI:23824)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a disaccharide derivative (CHEBI:63353)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a pentacyclic triterpenoid (CHEBI:25872)
2α-acetoxy-28-acetylrubiarboside G (CHEBI:69509) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
[(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-10-(acetyloxy)-9-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate
Synonym Source
2α,28-diacetoxy-3β,7β,19α-trihydroxyarbor-9(11)-en-3-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside ChEBI
Registry Number Type Source
22020827 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
20 January 2014