Account ((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate
- Catalog No. :
- ACTYXG836
- CAS No. :
- 96801-92-2
- Molecular Formula :
- C22H33ClO8
- Molecular Weight :
- 460.95
IUPAC Name:((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate
![((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate |
|---|---|
| IUPAC Name | ((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate |
| MDL No. | MFCD28100609 |
| Molecular Formula | C22H33ClO8 |
| Molecular Weight | 460.95 |
| SMILES | CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl |
| InChI Key | QERAXRDNYJPTRN-PNBTUHDLSA-N |
| Synonym | Chlorovaltrate K;(1S,5S,7S,8S,9S)-7-acetoxy-10-chloro-1,11-diisovaleroxy-5,6-dihydrovaltrate chlorohydrin;Butanoic acid, 3-methyl-, [6-(acetyloxy)-7-(chloromethyl)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester, [1S-(1α,4aα,6α,7β,7aα)]- (9CI) |
| CAS No. | 96801-92-2 |
Synthetic Route by SureRoute
2. ACTYXG836 Molecular Building Block Synthetic Route
((1S,4aR,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-4a,7-dihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl (R)-3-methyl-2-((3-methylbutanoyl)oxy)butanoate
((1S,4aS,6S,7R,7aS)-6-Acetoxy-1-((3-methylbutanoyl)oxy)-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-yl)methyl 3-methylbutanoate
((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