Account (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate
- Catalog No. :
- ACNLQC157
- CAS No. :
- 13018-10-5
- Molecular Formula :
- C22H32O5
- Molecular Weight :
- 376.49
IUPAC Name:(5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate
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Product Information
| Product Name | (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate |
|---|---|
| IUPAC Name | (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.49 |
| SMILES | C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O |
| InChI Key | IQWVFAXBJQKUDH-TXCQZRSTSA-N |
| Synonym | torilin;(Z)-2-Methyl-2-butenoic acid [(5S)-5α-(1-acetoxy-1-methylethyl)-1,2,4,5,6,7,8,8aα-octahydro-3,8α-dimethyl-2-oxoazulen-6α-yl] ester;3aβ,4,5,6,7,8-Hexahydro-1,4β-dimethyl-6β-[(Z)-2-methyl-2-butenoyloxy]-7β-(1-methyl-1-acetoxyethyl)azulene-2(3H)-one;2-Butenoic acid, 2-methyl-, (5S,6R,8S,8aR)-5-[1-(acetyloxy)-1-methylethyl]-1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-2-oxo-6-azulenyl ester, (2Z)-;(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl](Z)-2-methylbut-2-enoate;[(5S,8S,8aR)-5-(2-Acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate |
| CAS No. | 13018-10-5 |
Synthetic Route by SureRoute
2. ACNLQC157 Molecular Building Block Synthetic Route
(5S,6R,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl acetate
(5S,6R,8S,8aS)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate
(5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate