Account 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
- Catalog No. :
- ACFRIC462
- CAS No. :
- 41451-75-6
- Molecular Formula :
- C28H36O11
- Molecular Weight :
- 548.59
IUPAC Name: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)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C28H36O11 |
| Molecular Weight | 548.59 |
| SMILES | COC([C@]12[C@@]3([H])[C@@]4(CO2)[C@@]([C@H]([C@@H]1O)O)([H])[C@@]5([C@@](C(C)=C(C(C5)=O)O)([H])C[C@@]4([H])OC([C@@H]3OC(/C=C(C)/C(C)C)=O)=O)C)=O |
| InChI Key | IRQXZTBHNKVIRL-GOTQHHPNSA-N |
| Synonym | Picras-3-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))- | S3NW88DI4T | BRUCEANTIN | Picras-3-en-21-oic acid,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12 |
| CAS No. | 41451-75-6 |
| PubChem CID | 5281304 |
Synthetic Route by SureRoute
2. ACFRIC462 Molecular Building Block Synthetic Route
(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
(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
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