Account (2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
- Catalog No. :
- ACWZAL797
- CAS No. :
- 154083-99-5
- Molecular Formula :
- C29H34O11
- Molecular Weight :
- 558.58
IUPAC Name:(2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
![(2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate |
|---|---|
| IUPAC Name | (2aR,4S,4aR,6R,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5,9-dioxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate |
| Molecular Formula | C29H34O11 |
| Molecular Weight | 558.58 |
| SMILES | CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(CO)C(=O)[C@H](O)C3=C(C)C(=O)C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@H]21)C3(C)C |
| InChI Key | HALOPRXVBVZSAC-RIFKXWPOSA-N |
| Synonym | Docetaxel Impurity 33;Paclitaxel Impurity 4;Paclitaxel impurity 3/19-Hydroxy-10-deacetylbaccatin III/(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-7,11-methano-5H-cyclodeca;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-, (2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-;(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-ylbenzoate;(2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b];19-Hydroxy-10-deacetylbaccatin III (Cabazitaxel Impurity 30) |
| CAS No. | 154083-99-5 |
Synthetic Route by SureRoute
2. ACWZAL797 Molecular Building Block Synthetic Route
(2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
7,10-Dimethoxy-10-DAB III
12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate