Products 944799-47-7

CAS 944799-47-7 is the registry number for Ingol 7,8,12-triacetate 3-(4-methoxyphenyl)acetate. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,9-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] 2-(4-methoxyphenyl)acetate (CAS 944799-47-7) is a chemical compound with the molecular formula C35H44O11 and a molecular weight of 640.7 g/mol. IUPAC name: [(1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,9-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] 2-(4-methoxyphenyl)acetate. InChIKey: QIBBWTGAUNURQV-FHVPEDKISA-N.

Identity
Molecular formulaC35H44O11
Molecular weight640.7 g/mol
IUPAC name[(1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,9-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] 2-(4-methoxyphenyl)acetate
InChIKeyQIBBWTGAUNURQV-FHVPEDKISA-N
SMILESC[C@H]1C[C@]23C(=O)[C@@H]([C@@H]([C@@H]4[C@@H](C4(C)C)[C@@H]([C@@H](C(=C[C@@]2([C@H]1OC(=O)CC5=CC=C(C=C5)OC)O3)C)OC(=O)C)OC(=O)C)OC(=O)C)C

Computed by PubChem (NCBI)