Delta6,7-Baccatin III

cas: 158830-50-3 — see every product listed under this CAS number, including other names

Delta6,7-Baccatin III (CAS 158830-50-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 2mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-B101010-10MG
cas158830-50-3
size10mg
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,10R,12R,15S)-4,12-diacetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadeca-8,13-dien-2-yl] benzoate (CAS 158830-50-3) is a chemical compound with the molecular formula C31H36O10 and a molecular weight of 568.6 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,10R,12R,15S)-4,12-diacetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadeca-8,13-dien-2-yl] benzoate. InChIKey: GKORGTAVTDVIOM-KSGSGGQMSA-N.

Identity
Molecular formulaC31H36O10
Molecular weight568.6 g/mol
IUPAC name[(1S,2S,3R,4S,7R,10R,12R,15S)-4,12-diacetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadeca-8,13-dien-2-yl] benzoate
InChIKeyGKORGTAVTDVIOM-KSGSGGQMSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3(C=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)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: delta6,7-Baccatin III