CHEBI:69503 - 19,28-didehydroxyrubiarbonol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 19,28-didehydroxyrubiarbonol A
ChEBI ID CHEBI:69503
Definition A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later.
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.71680
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-18(2)19-9-10-22-28(19,6)15-16-30(8)25-20(11-14-29(22,30)7)27(5)13-12-24(32)26(3,4)23(27)17-21(25)31/h11,18-19,21-25,31-32H,9-10,12-17H2,1-8H3/t19-,21-,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1
InChIKey FQHMGDGIXBLTOA-KELKJMMRSA-N
SMILES CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 19,28-didehydroxyrubiarbonol A (CHEBI:69503) has role plant metabolite (CHEBI:76924)
19,28-didehydroxyrubiarbonol A (CHEBI:69503) is a diol (CHEBI:23824)
19,28-didehydroxyrubiarbonol A (CHEBI:69503) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3S,3aS,5aS,5bS,6S,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-6,9-diol
Synonym Source
3β,7β-dihydroxyarbor-9(11)-ene ChEBI
Registry Number Type Source
22020812 Reaxys Registry Number Reaxys
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014