Account SARS-CoV-2-IN-40
- Catalog No. :
- ACIFZX561
- CAS No. :
- 2984557-53-9
- Molecular Formula :
- C25H40O4
- Molecular Weight :
- 404.59
IUPAC Name:(2S,4aR,6'R,8aR)-6'-decyl-4-(hydroxymethyl)-7-methyl-3',4a,4',5',6',8a-hexahydrospiro[chromene-2,2'-pyran]-6(5H)-one
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Product Information
| Product Name | SARS-CoV-2-IN-40 |
|---|---|
| IUPAC Name | (2S,4aR,6'R,8aR)-6'-decyl-4-(hydroxymethyl)-7-methyl-3',4a,4',5',6',8a-hexahydrospiro[chromene-2,2'-pyran]-6(5H)-one |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.59 |
| SMILES | CCCCCCCCCC[C@@H]1CCC[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 |
| InChI Key | DKOKVOARFOHBNU-MFYODDQASA-N |
| Synonym | SARS-CoV-2-IN-40;Spiro[2H-1-benzopyran-2,2′-[2H]pyran]-6(5H)-one, 6′-decyl-3′,4′,4a,5′,6′,8a-hexahydro-4-(hydroxymethyl)-7-methyl-, (2S,4aR,6′R,8aR)- |
| CAS No. | 2984557-53-9 |
Synthetic Route by SureRoute
2. ACIFZX561 Molecular Building Block Synthetic Route
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
(3aR,4R,6S,9S,11aR,Z)-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,9,11a-octahydro-6,9-epoxycyclodeca[b]furan-4-yl isobutyrate
(R)-2-Hydroxy-3-((2S,5R,6R,8S)-5-hydroxy-8-((R,E)-4-((2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl)-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl)-2-methylpropanoic acid