Account (1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate
- Catalog No. :
- ACIGFQ304
- CAS No. :
- 1108-68-5
- Molecular Formula :
- C26H34O7
- Molecular Weight :
- 458.55
IUPAC Name:(1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate
![(1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate |
|---|---|
| IUPAC Name | (1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-5a,7-dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate |
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.55 |
| SMILES | CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1C1=COC(=O)C=C1 |
| InChI Key | KBKUJJFDSHBPPA-ZNCGZLKOSA-N |
| Synonym | cinobufotalin venom toad;Cinobufotalin std.;5BETA,20[22]-BUFADIENOLIDE-14,15BETA-EPOXY-3BETA,5ALPHA,16BETA-TRIOL 16-ACETATE;14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-22-dienolid16-5-beta-bufa-2;CINOBUFOTALIN(RG);14,15b-Epoxy-3b,5a,16b-trihydroxy-5b,20(22)-bufadienolide 16-acetate;5β,20(22)-Bufadienolide-14,15β-epoxy-3β,5α,16β-triol 16-acetate, 14,15β-Epoxy-3β,5α,16β-trihydroxy-5β,20(22)-bufadienolide 16-acetate;14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv. |
| CAS No. | 1108-68-5 |
Synthetic Route by SureRoute
2. ACIGFQ304 Molecular Building Block Synthetic Route
(1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate
(1R,2R,2aR,3aS,3bR,5aR,7S,9aR,9bS,11aR)-7-hydroxy-9a-(hydroxymethyl)-11a-methyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate
(1R,2R,2aR,3aS,3bR,5aR,7S,9aR,9bS,11aR)-9a-formyl-7-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate