Account (1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate
- Catalog No. :
- ACFDUK808
- CAS No. :
- 2221029-54-3
- Molecular Formula :
- C32H50O7
- Molecular Weight :
- 546.74
IUPAC Name:(1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate
![(1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate |
|---|---|
| IUPAC Name | (1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate |
| Molecular Formula | C32H50O7 |
| Molecular Weight | 546.74 |
| SMILES | CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1OO)[C@H]1OC1(C)C |
| InChI Key | OPWQFBRURDPURF-XKFNBYHKSA-N |
| Synonym | Dammar-13(17)-en-3-one, 23-(acetyloxy)-24,25-epoxy-16-hydroperoxy-11-hydroxy-, (8α,9β,11β,14β,16β,23S,24R)-;16β-Hydroperoxyalisol B 23-acetate |
| CAS No. | 2221029-54-3 |
Synthetic Route by SureRoute
2. ACFDUK808 Molecular Building Block Synthetic Route
(1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl
16,23-Oxidoalisol B
(R)-2-hydroxy-1-((2aR,6aS,6bS,7S,9R,11S,12aS,13aR,13bS)-7-hydroxy-3,3,6a,9,13a,13b-hexamethyl-4-oxo-1,2,2a,3,4,5,6,6a,6b,7,8,9,10,11,12a,13,13a,13b-octadecahydronaphtho[2',1':4,5]indeno[2,1-b]pyran-11-yl)-2-methylpropyl acetate