triptoditerpenic acid B (CHEBI:132337)

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ChEBI Name	triptoditerpenic acid B

ChEBI ID	CHEBI:132337

Definition	A tricyclic diterpenoid with formula C₂₁H₂₈O₃, originally isolated from Tripterygium hypoglaucum.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C21H28O3

Net Charge

Average Mass

328.446

Monoisotopic Mass

328.20384

InChI

InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)

InChIKey

UAEUNTXALQHLMF-UHFFFAOYSA-N

SMILES

O(C=1C2=C(C3(C(CC2)C(=C(CC3)C(O)=O)C)C)C=CC1C(C)C)C

Metabolite of Species	Details
Tripterygium hypoglaucum (NCBI:txid205465)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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.

ChEBI Ontology
Outgoing	triptoditerpenic acid B (CHEBI:132337) has role plant metabolite (CHEBI:76924) triptoditerpenic acid B (CHEBI:132337) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) triptoditerpenic acid B (CHEBI:132337) is a monomethoxybenzene (CHEBI:25235) triptoditerpenic acid B (CHEBI:132337) is a tricyclic diterpenoid (CHEBI:79084)

IUPAC Name

8-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid

Registry Number	Type	Source
147362-43-4	CAS Registry Number	ChemIDplus

Citation	Type	Source
8328267	PubMed citation	Europe PMC

Last Modified

24 October 2016