Account (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one
- Catalog No. :
- ACDVZT652
- CAS No. :
- 4567-33-3
- Molecular Formula :
- C12H18O2
- Molecular Weight :
- 194.27
IUPAC Name:Neocnidilide
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Product Information
| Product Name | (3S,3aR)-3-Butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one |
|---|---|
| IUPAC Name | Neocnidilide |
| MDL No. | MFCD33029135 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.27 |
| SMILES | O=C1O[C@@H](CCCC)[C@]2([H])CCCC=C21 |
| InChI Key | UPJFTVFLSIQQAV-KOLCDFICSA-N |
| Synonym | (3S,3aR)-(-)-Sedanolide;(3S,3aR)-3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-;trans-Sedanolide（ Neocnidilide） |
| CAS No. | 4567-33-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACDVZT652 Molecular Building Block Synthetic Route
3-butyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one
(3AS,6Z,10E,11aR)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylic acid
(3aS,4R,10R,11aR,E)-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,10,11,11a-decahydrocyclodeca[b]furan-4-yl (Z)-2-methylbut-2-enoate