Products 31077-81-3

CAS 31077-81-3 appears in our catalog under these names: Paclitaxel Impurity 64, Paclitaxel Impurity 37. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

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

[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 31077-81-3) is a chemical compound with the molecular formula C31H38O11 and a molecular weight of 586.6 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: OVMSOCFBDVBLFW-QZDKRUOYSA-N.

Identity
Molecular formulaC31H38O11
Molecular weight586.6 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyOVMSOCFBDVBLFW-QZDKRUOYSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C

Computed by PubChem (NCBI)