Account ((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
- Catalog No. :
- ACMEVO819
- CAS No. :
- 18296-45-2
- Molecular Formula :
- C22H32O8
- Molecular Weight :
- 424.49
IUPAC Name:((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,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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((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 |
|---|---|
| IUPAC Name | ((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 |
| MDL No. | MFCD01656120 |
| Molecular Formula | C22H32O8 |
| Molecular Weight | 424.49 |
| SMILES | CC(C)CC(O[C@H]1[C@@]2([H])[C@@](C[C@H](OC(C)=O)[C@@]23OC3)([H])C(COC(CC(C)C)=O)=CO1)=O |
| InChI Key | PHHROXLDZHUIGO-PNBTUHDLSA-N |
| Synonym | didrovaltrate;DIHYDROVALTRATE;(1S,7R)-4-[(3-Methylbutyryloxy)methyl]-4aα,5,6,7aα-tetrahydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1α,6α-diol 1-(3-methylbutanoate)6-acetate;3-Methylbutanoic acid (1S,7R)-6α-acetyloxy-4aα,5,6,7aα-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1α-yl ester;Dihydroisovaltrate;C09776;Dihydroisovalepotriate;Dihydroisovaltratum |
| CAS No. | 18296-45-2 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACMEVO819 Molecular Building Block Synthetic Route
((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,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