Account (1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate
- Catalog No. :
- ACHLEF130
- CAS No. :
- 244167-04-2
- Molecular Formula :
- C37H44O15
- Molecular Weight :
- 728.74
IUPAC Name:(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate
![(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate |
|---|---|
| IUPAC Name | (1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,7,9,10,11-pentayl pentaacetate |
| Molecular Formula | C37H44O15 |
| Molecular Weight | 728.74 |
| SMILES | C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(COC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12 |
| InChI Key | XUMIEQQAVQWNBJ-CCCKHRJYSA-N |
| Synonym | Taxumairol R;1,4-Ethanobenzo[5,6]cycloocta[1,2-c]furan-13-one, 5,7,9,10,11-pentakis(acetyloxy)-9a-[(benzoyloxy)methyl]tetradecahydro-11a-hydroxy-1,3a-dimethyl-6-methylene-, (1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)- |
| CAS No. | 244167-04-2 |
Synthetic Route by SureRoute
2. ACHLEF130 Molecular Building Block Synthetic Route
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR,12S)-9a-((benzoyloxy)methyl)-7,11a-dihydroxy-12-(hydroxymethyl)-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-4,1-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-7-(cinnamoyloxy)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate
(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-2H-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate