Products 146900-55-2

CAS 146900-55-2 appears in our catalog under these names: Triptobenzene H, Triptobenzene H, HPLC≥95%. Offered by: Biosynth, MedChemExpress, Chemat. Available pack sizes: 10mg, 25mg, 50mg, Get quote, 5mg.

Structural formula: {0} (CAS {1})

Triptobenzene H is an abietane diterpenoid with formula C21H28O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a monomethoxybenzene, a member of phenols, an abietane diterpenoid, a carbotricyclic compound, an alpha,beta-unsaturated monocarboxylic acid and a tricyclic diterpenoid.

Source: ChEBI

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name(4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
InChIKeyNZQIHCWNAMEWEW-KKSFZXQISA-N
SMILESCC1=C(CC[C@]2([C@H]1CCC3=C(C(=CC(=C32)O)C(C)C)OC)C)C(=O)O

Computed by PubChem (NCBI)