Account Kadsurin A
- Catalog No. :
- ACXNWN299
- CAS No. :
- 99340-07-5
- Molecular Formula :
- C21H24O6
- Molecular Weight :
- 372.42
IUPAC Name:(2S,3R,3aS,7aR)-5-allyl-2-(benzo[d][1,3]dioxol-5-yl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydrobenzofuran-6(2H)-one
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Product Information
| Product Name | Kadsurin A |
|---|---|
| IUPAC Name | (2S,3R,3aS,7aR)-5-allyl-2-(benzo[d][1,3]dioxol-5-yl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydrobenzofuran-6(2H)-one |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.42 |
| SMILES | O=C1C(CC=C)=C[C@]2(OC)[C@H](C)[C@@H](C3=CC=C(OCO4)C4=C3)O[C@]2(OC)C1 |
| InChI Key | YVRYZXAHRGGELT-MZNUGIIHSA-N |
| Synonym | Kadsurin A;(2S,3R,3aS,7aR)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propenyl)-6(2H)-benzofuranone;Reaxys ID: 4575364;6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,7a-dimethoxy-3-methyl-5-(2-propen-1-yl)-, (2S,3R,3aS,7aR)- |
| CAS No. | 99340-07-5 |
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. ACXNWN299 Molecular Building Block Synthetic Route
(2S,3R,3aS,7aR)-5-allyl-2-(3,4-dimethoxyphenyl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydrobenzofuran-6(2H)-one
(2S,3R,3aR,7R,7aS)-7-allyl-2-(benzo[d][1,3]dioxol-5-yl)-3a,4-dimethoxy-3-methyl-3,3a,7,7a-tetrahydrobenzofuran-6(2H)-one
(2S,3R,3aR,7S,7aS)-7-allyl-2-(benzo[d][1,3]dioxol-5-yl)-3a,4-dimethoxy-3-methyl-3,3a,7,7a-tetrahydrobenzofuran-6(2H)-one