Account (1R,2S,3S,3AS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylic acid
- Catalog No. :
- ACVFIH168
- CAS No. :
- 1822332-33-1
- Molecular Formula :
- C27H34O12
- Molecular Weight :
- 550.56
IUPAC Name:(1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylic acid
![(1R,2S,3S,3AS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,2S,3S,3AS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylic acid |
|---|---|
| IUPAC Name | (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2,9-trihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylic acid |
| Molecular Formula | C27H34O12 |
| Molecular Weight | 550.56 |
| SMILES | C/C(C(C)(O)C)=C\C(O[C@@H]1[C@@H]2[C@@]34CO[C@]2(C(O)=O)[C@@H](O)[C@H](O)[C@@H]3[C@]5(CC(C(O)=C([C@@H]5C[C@H]4OC1=O)C)=O)C)=O |
| InChI Key | VMAQZPRBCBVUAH-KXWDFAGZSA-N |
| Synonym | Bruceine C;Bruceantinol B |
| CAS No. | 1822332-33-1 |
Synthetic Route by SureRoute
2. ACVFIH168 Molecular Building Block Synthetic Route
methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-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
Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-4-acetoxy-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-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
(1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-Methyl 1,2,9-trihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3-carboxylate