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CHEBI:69518 - rubiarbonol G

ChEBI IDCHEBI:69518
ChEBI Namerubiarbonol G
Stars
DefinitionA pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC32H52O5
Net Charge0
Average Mass516.763
Monoisotopic Mass516.38147
SMILES[H][C@]12[C@H](OC(C)=O)C[C@@H](C(C)C)[C@]1(CO)CC[C@]1(C)[C@]2(C)CC=C2[C@@]1([H])[C@@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C32H52O5/c1-18(2)21-15-23(37-19(3)34)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)22(35)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,33,35-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1
InChIKeyIPFJEJXCPFOYQR-CRBXCGNKSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
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.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rubiarbonol G (CHEBI:69518) has role antimicrobial agent (CHEBI:33281)
rubiarbonol G (CHEBI:69518) has role antineoplastic agent (CHEBI:35610)
rubiarbonol G (CHEBI:69518) has role plant metabolite (CHEBI:76924)
rubiarbonol G (CHEBI:69518) is a acetate ester (CHEBI:47622)
rubiarbonol G (CHEBI:69518) is a pentacyclic triterpenoid (CHEBI:25872)
rubiarbonol G (CHEBI:69518) is a triol (CHEBI:27136)
IUPAC Name 
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-1-yl acetate
Registry NumbersSources
Reaxys:9308605Reaxys
Citations