Docetaxel Impurity 61

cas: 92999-93-4 — see every product listed under this CAS number, including other names

Docetaxel Impurity 61 (CAS 92999-93-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-D032061
cas92999-93-4
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Structural formula: {0} (CAS {1})

(4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate (CAS 92999-93-4) is a chemical compound with the molecular formula C29H36O10 and a molecular weight of 544.6 g/mol. IUPAC name: (4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate. InChIKey: YWLXLRUDGLRYDR-UHFFFAOYSA-N.

Identity
Molecular formulaC29H36O10
Molecular weight544.6 g/mol
IUPAC name(4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate
InChIKeyYWLXLRUDGLRYDR-UHFFFAOYSA-N
SMILESCC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: 10-Desacetylbaccatin III, 10-Deacetyl baccatin III, 8-epi-10-Deacety Baccatin III, Tetrol fr. Taxus Brevifolia, YWLXLRUDGLRYDR-UHFFFAOYSA-N, s2409, 4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Related forms of this compound
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
[(1S,2S,3R,4S,7R,9S,10S,12S,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C29H36O10
Isomers (same molecular formula)
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23R,25S,29S)-12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone C29H36O10

Also listed as

8-epi-10-Deacety Baccatin III Chemat Brand CAS 92999-93-4