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CHEBI:69516 - rubiarbonol K

ChEBI IDCHEBI:69516
ChEBI Namerubiarbonol K
Stars
DefinitionA pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
Last Modified8 January 2014
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12[C@H](O)C[C@@H](C(C)C)[C@]1(C)CC[C@]1(C)[C@]2(C)CC=C2[C@@]1([H])CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-18(2)21-17-22(31)25-28(21,6)15-16-29(7)20-9-10-23-26(3,4)24(32)12-13-27(23,5)19(20)11-14-30(25,29)8/h11,18,20-25,31-32H,9-10,12-17H2,1-8H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKeySEUSNJUQUVUXAA-ZRBXTNFGSA-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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
rubiarbonol K (CHEBI:69516) has role metabolite (CHEBI:25212)
rubiarbonol K (CHEBI:69516) has role plant metabolite (CHEBI:76924)
rubiarbonol K (CHEBI:69516) is a diol (CHEBI:23824)
rubiarbonol K (CHEBI:69516) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(1R,3S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-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]chrysene-1,9-diol
Registry NumbersSources
Reaxys:22020813Reaxys
CAS:142778-12-9Reaxys
Citations