Account Tokinolide B
- Catalog No. :
- ACRWYG793
- CAS No. :
- 112966-16-2
- Molecular Formula :
- C24H28O4
- Molecular Weight :
- 380.48
IUPAC Name:(1S,3a'S,5'R,6'R,Z)-3'-butylidene-5'-propyl-5',6,6',7-tetrahydro-1'H,3H,3'H-spiro[isobenzofuran-1,4'-[3a,6]ethanoisobenzofuran]-1',3-dione
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Product Information
| Product Name | Tokinolide B |
|---|---|
| IUPAC Name | (1S,3a'S,5'R,6'R,Z)-3'-butylidene-5'-propyl-5',6,6',7-tetrahydro-1'H,3H,3'H-spiro[isobenzofuran-1,4'-[3a,6]ethanoisobenzofuran]-1',3-dione |
| MDL No. | - |
| Molecular Formula | C24H28O4 |
| Molecular Weight | 380.48 |
| SMILES | CCC[C@H]1[C@@](O2)([C@@]34C(C(O/C3=C\CCC)=O)=C[C@]1(CC4)[H])C5=C(C2=O)C=CCC5 |
| InChI Key | DZMFTLLDUYBHLI-MUSNRYMWSA-N |
| Synonym | Tokinolide B;(3'Z)-(3S,8R,3a'S,6'R)-3,3a':8,6'-Diligustilide;[(3'Z)-(3S,8R,3A'S,6'R)-3,3A';(3'Z)-(3S;3A':8;6'R)-3;Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione,3-butylidene-5,6,6',7'-tetrahydro-5-propyl-, (1'S,3Z,3aS,5R,6R)- |
| CAS No. | 112966-16-2 |
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. ACRWYG793 Molecular Building Block Synthetic Route
Riligustilide
3-Butylidene-6-propyl-4,5,5a,6,6',7'-hexahydro-1H,3'H-spiro[cyclobuta[e]isobenzofuran-7,1'-isobenzofuran]-1,3'(3H,7aH)-dione
(1Z,5S,5aS,8Z,10bS,10cS)-1,8-dibutylidene-5,5a,6,7,8,10b-hexahydro-1H-5,10c-ethanonaphtho[1,2-c:7,8-c']difuran-3,10-dione