Account methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-1,2,10-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
- Catalog No. :
- ACUCBN098
- CAS No. :
- 73435-47-9
- Molecular Formula :
- C26H32O11
- Molecular Weight :
- 520.53
IUPAC Name:methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-1,2,10-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
![methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-1,2,10-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-1,2,10-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate |
|---|---|
| IUPAC Name | methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-1,2,10-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate |
| Molecular Formula | C26H32O11 |
| Molecular Weight | 520.53 |
| SMILES | COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(=O)C(O)=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24 |
| InChI Key | RHISAUJYNIABND-IRPUDBTHSA-N |
| Synonym | Dehydrobruceine A;Picrasa-1,4-dien-21-oic acid, 13,20-epoxy-2,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-3,16-dioxo-, methyl ester, (11β,12α,15β)- |
| CAS No. | 73435-47-9 |
Synthetic Route by SureRoute
2. ACUCBN098 Molecular Building Block Synthetic Route
methyl (E)-4-((3,4-dimethylpent-2-enoyl)oxy)-1,2,10-trihydroxy-8,11a-dimethyl-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
methyl (1R,2S,3S,3aS,3a1R,4R,6aR,11aS,11bR)-4-(((E)-4-acetoxy-3,4-dimethylpent-2-enoyl)oxy)-1,2,10-trihydroxy-8,11a-dimethyl-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate