Account methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
- Catalog No. :
- ACRKNU223
- CAS No. :
- 99132-95-3
- Molecular Formula :
- C29H38O16
- Molecular Weight :
- 642.61
IUPAC Name:methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-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-acetoxy-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate |
| MDL No. | MFCD34567010 |
| Molecular Formula | C29H38O16 |
| Molecular Weight | 642.61 |
| SMILES | COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24 |
| InChI Key | QVXFIBXCQCYPLP-BBIBOMAQSA-N |
| Synonym | Yadanzioside I;Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3-(β-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)- |
| CAS No. | 99132-95-3 |
| PubChem CID | 134715120 |
Synthetic Route by SureRoute
2. ACRKNU223 Molecular Building Block Synthetic Route
methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-3,4-dimethylpent-2-enoyl)oxy)-1,2-dihydroxy-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
Yadanzioside B
methyl (1R,2S,3R,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-1,2-dihydroxy-4-(((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy)-8,11a-dimethyl-5,10-dioxo-9-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate