Products 130252-47-0

CAS 130252-47-0 is the registry number for Benzoyl oxokadsuranol. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(1S,12R,13R,14S,15R)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate (CAS 130252-47-0) is a chemical compound with the molecular formula C29H28O9 and a molecular weight of 520.5 g/mol. IUPAC name: [(1S,12R,13R,14S,15R)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate. InChIKey: QKCAULIJCVGCOM-BMMMKAKKSA-N.

Identity
Molecular formulaC29H28O9
Molecular weight520.5 g/mol
IUPAC name[(1S,12R,13R,14S,15R)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate
InChIKeyQKCAULIJCVGCOM-BMMMKAKKSA-N
SMILESC[C@H]1[C@H]([C@H](C2=CC3=C(C4=C2[C@]5(CO4)C(=CC(=C(C5=O)OC)OC)[C@@H]1O)OCO3)OC(=O)C6=CC=CC=C6)C

Computed by PubChem (NCBI)