Account methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
- Catalog No. :
- ACFYJA269
- CAS No. :
- 63306-30-9
- Molecular Formula :
- C32H42O16
- Molecular Weight :
- 682.67
IUPAC Name:methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
![methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,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,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate |
|---|---|
| IUPAC Name | methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate |
| MDL No. | MFCD01704317 |
| Molecular Formula | C32H42O16 |
| Molecular Weight | 682.67 |
| SMILES | COC(=O)C12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24 |
| InChI Key | AKSGLPBROCFVSE-JIJKBWMESA-N |
| Synonym | 13,20-Epoxy-2-(β-D-glucopyranosyloxy)-11β,12α-dihydroxy-15β-[(3-methyl-1-oxo-2-butenyl)oxy]-3,16-dioxopicras-1-en-21-oic acid methyl ester;(11beta,12alpha,15beta)-13,20-Epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-picras-1-en-21-oic acid methyl ester;bruceoside A;Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3,16-dioxo-, methyl ester, (11β,12α,15β)-;Bruceside A |
| CAS No. | 63306-30-9 |
Synthetic Route by SureRoute
2. ACFYJA269 Molecular Building Block Synthetic Route
Bruceantinoside A
methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-1,2-dihydroxy-8,11a-dimethyl-4-((3-methylbutanoyl)oxy)-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aS,8S,11aS,11bR)-4-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,9-dioxo-10-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,8,9,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate