Account 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
- Catalog No. :
- ACWOXH730
- CAS No. :
- 99132-99-7
- Molecular Formula :
- C30H36O13
- Molecular Weight :
- 604.60
IUPAC Name: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,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 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)-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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C30H36O13 |
| Molecular Weight | 604.60 |
| 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)/C=C(\C)C(C)(C)OC(C)=O)[C@@H]24 |
| InChI Key | MJOFLSVJDZIFKV-UUTDASJCSA-N |
| Synonym | DEHYDROBRUCEANTINOL;Picrasa-1,4-dien-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-3,16-dioxo-, methyl ester, (11β,12α,15β)- (9CI);(+)-Dehydrobruceantinol/Dehydrobruceantinol |
| CAS No. | 99132-99-7 |
Synthetic Route by SureRoute
2. ACWOXH730 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)-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,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