Account dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylate
- Catalog No. :
- ACEIBJ349
- CAS No. :
- 106500-25-8
- Molecular Formula :
- C33H42O14
- Molecular Weight :
- 662.68
IUPAC Name:dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylate
![dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylate |
|---|---|
| IUPAC Name | dimethyl (2aR,2a1R,3S,4S,4aR,5S,7aS,8S,10R,10aS)-3,8-dihydroxy-4-((1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[2,3-e]oxepin-1a(2H)-yl)-4-methyl-10-(((E)-2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylate |
| Molecular Formula | C33H42O14 |
| Molecular Weight | 662.68 |
| SMILES | C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@]23CO[C@H](C(=O)OC)[C@H]2[C@](C)([C@]24O[C@@]2(C)[C@H]2C[C@@H]4O[C@@H]4OC=C[C@@]42O)[C@H](O)[C@@H]2OC[C@@]1(C(=O)OC)[C@H]23 |
| InChI Key | USRBWQQLHKQWAV-ZGKQVQOISA-N |
| Synonym | AKOS040741190 | HY-133108 | AZADIRACHTIN B(SH) | AZADIRACHTINB(P) | dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-7,14-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-12-[(E)-2-methyl |
| CAS No. | 106500-25-8 |
| PubChem CID | 21725521 |
Synthetic Route by SureRoute
2. ACEIBJ349 Molecular Building Block Synthetic Route
methyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate
methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
methyl 4a,5,6,7,7a-pentahydroxy-7-methyl-1-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate