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CHEBI:132350 - triptobenzene D

ChEBI IDCHEBI:132350
ChEBI Nametriptobenzene D
Stars
DefinitionAn abietane diterpenoid with formula C20H26O2, originally isolated from Tripterygium wilfordii.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC20H26O2
Net Charge0
Average Mass298.426
Monoisotopic Mass298.19328
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC(C(=O)O)=C2C
InChIInChI=1S/C20H26O2/c1-12(2)14-5-8-18-15(11-14)6-7-17-13(3)16(19(21)22)9-10-20(17,18)4/h5,8,11-12,17H,6-7,9-10H2,1-4H3,(H,21,22)/t17-,20-/m0/s1
InChIKeyAVELPKSDGFIWLJ-PXNSSMCTSA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (11561442)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
triptobenzene D (CHEBI:132350) has role plant metabolite (CHEBI:76924)
triptobenzene D (CHEBI:132350) is a abietane diterpenoid (CHEBI:36762)
triptobenzene D (CHEBI:132350) is a carbotricyclic compound (CHEBI:38032)
triptobenzene D (CHEBI:132350) is a tricyclic diterpenoid (CHEBI:79084)
triptobenzene D (CHEBI:132350) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(4aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
Synonym  Source
18-norabieta-3,8,11,13-tetraene-3-oic acidChEBI
Registry NumbersSources
Reaxys:5576059Reaxys
Citations