Account ((1S,4aR,6S,7R,7aS)-6-acetoxy-4a-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
- Catalog No. :
- ACEJAB527
- CAS No. :
- 28325-56-6
- Molecular Formula :
- C27H40O11
- Molecular Weight :
- 540.61
IUPAC Name:((1S,4aR,6S,7R,7aS)-6-acetoxy-4a-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
![((1S,4aR,6S,7R,7aS)-6-acetoxy-4a-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((1S,4aR,6S,7R,7aS)-6-acetoxy-4a-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate |
|---|---|
| IUPAC Name | ((1S,4aR,6S,7R,7aS)-6-acetoxy-4a-hydroxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate |
| MDL No. | MFCD28100656 |
| Molecular Formula | C27H40O11 |
| Molecular Weight | 540.61 |
| SMILES | CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 |
| InChI Key | QPMVBTMUWDUUTJ-KZYULCMASA-N |
| Synonym | IVHD-valtrate;Isovaleroxyhydroxydidrovaltratum;Isovaleroxyhydroxydihydrovaltrate;Valtrate HD;Butanoic acid, 3-methyl-2-(3-methyl-1-oxobutoxy)-, [(1S,2'R,4aR,6S,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4a-hydroxy-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-4-yl]methyl ester |
| CAS No. | 28325-56-6 |
Synthetic Route by SureRoute
2. ACEJAB527 Molecular Building Block Synthetic Route
((1S,4aR,6S,7R,7aS)-6-acetoxy-4a,7-dihydroxy-1-((3-methylbutanoyl)oxy)-7-(((3-methylbutanoyl)oxy)methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
((1S,4aR,6S,7R,7aS)-6-acetoxy-4a,7-dihydroxy-4-((((R)-3-methyl-2-((3-methylbutanoyl)oxy)butanoyl)oxy)methyl)-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl)methyl (R)-3-methyl-2-((3-methylbutanoyl)oxy)butanoate
(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate