Account (1S,3aS,4R,7R,8aR)-1,4-Dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)octahydroazulen-2(1H)-one
- Catalog No. :
- ACFWUT280
- CAS No. :
- 126054-77-1
- Molecular Formula :
- C21H36O10
- Molecular Weight :
- 448.51
IUPAC Name:(1S,3aS,4R,7R,8aR)-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)octahydroazulen-2(1H)-one
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Product Information
| Product Name | (1S,3aS,4R,7R,8aR)-1,4-Dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)octahydroazulen-2(1H)-one |
|---|---|
| IUPAC Name | (1S,3aS,4R,7R,8aR)-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)octahydroazulen-2(1H)-one |
| MDL No. | - |
| Molecular Formula | C21H36O10 |
| Molecular Weight | 448.51 |
| SMILES | O=C1[C@@](C)(O)[C@]2([H])C[C@H](C(C)(O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C)CC[C@@](CO)(O)[C@@]2([H])C1 |
| InChI Key | QNBLVYVBWDIWDM-BSLJOXIBSA-N |
| Synonym | (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one | AtractylosideA | AC-34082 | BS-14865 | CHEBI:138832 | AKOS030526368 | |
| CAS No. | 126054-77-1 |
| PubChem CID | 71307451 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACFWUT280 Molecular Building Block Synthetic Route
(4AS,6aS,8R,9R,11aR,11bS)-8-hydroxy-4,4,11b-trimethyl-8-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)dodecahydro-6a,9-methanocyclohepta[a]naphthalen-3(2H)-one
(3S,6S,8R,9R,10R,14S,17S)-3,6-Dihydroxy-4,4,8,10,14-pentamethyl-17-((S)-6-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hept-5-en-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-12(2H)-one
4-((1S,3S,5R,8R)-1,5-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-oxabicyclo[3.2.1]octan-8-yl)butan-2-one