Account 12-(benzoyloxy)-11-hydroxy-9-((2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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
- Catalog No. :
- ACIJZC399
- CAS No. :
- 90352-19-5
- Molecular Formula :
- C50H61NO18
- Molecular Weight :
- 964.03
IUPAC Name:12-(benzoyloxy)-11-hydroxy-9-((2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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
![12-(benzoyloxy)-11-hydroxy-9-((2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 12-(benzoyloxy)-11-hydroxy-9-((2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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 |
|---|---|
| IUPAC Name | 12-(benzoyloxy)-11-hydroxy-9-((2-hydroxy-3-(2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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 |
| Molecular Formula | C50H61NO18 |
| Molecular Weight | 964.03 |
| SMILES | CC=C(C)C(=O)NC(C1=CC=CC=C1)C(O)C(=O)OC1CC2(O)C(OC(=O)C3=CC=CC=C3)C3C4(OC(C)=O)COC4CC(OC4OCC(O)C(O)C4O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C |
| InChI Key | HWPZOSPUENCAFV-UHFFFAOYSA-N |
| Synonym | XYLOTAXOL B, 7-(P);7-Xylosylcephalomannine;Cephalomannine-7-xyloside;7-Xylosyltaxol B;Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2...;XYLOSYLCEPHALOMANNINE, 7- |
| CAS No. | 90352-19-5 |
Synthetic Route by SureRoute
2. ACIJZC399 Molecular Building Block Synthetic Route
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-6,11-dihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-hexanamido-2-hydroxy-3-phenylpropanoyl)oxy)-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-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,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-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