Account methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-methyl-3-((1E,3E)-4-methyl-5-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)penta-1,3-dien-1-yl)-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate
- Catalog No. :
- ACTMXG305
- CAS No. :
- 98891-41-9
- Molecular Formula :
- C29H38O13
- Molecular Weight :
- 594.61
IUPAC Name:methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-methyl-3-((1E,3E)-4-methyl-5-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)penta-1,3-dien-1-yl)-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate
![methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-methyl-3-((1E,3E)-4-methyl-5-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)penta-1,3-dien-1-yl)-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-methyl-3-((1E,3E)-4-methyl-5-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)penta-1,3-dien-1-yl)-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate |
|---|---|
| IUPAC Name | methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-methyl-3-((1E,3E)-4-methyl-5-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)penta-1,3-dien-1-yl)-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate |
| MDL No. | MFCD22124713 |
| Molecular Formula | C29H38O13 |
| Molecular Weight | 594.61 |
| SMILES | COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2=O)[C@@]3(OC(C)=O)CC1 |
| InChI Key | UUDZDKPKXAEKLA-YHLOYHKPSA-N |
| Synonym | Pseudolaric acid B-glucopyranoside;Pseudolaric acid B beta-D-glucoside;β-D-Glucopyranose, 1-[(2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-7-(methoxycarbonyl)-3-methyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-2,4-pentadienoate];Pseudolaric acid B-O-β-D- glucopyranoside;Pseudolaric acid B β-D-glucoside;Pseudolaric acid B βDglucoside,Inhibitor,inhibit,Pseudolaric acid B β D glucoside;Pseudolaric acid B-glucopyranoside-RM;Pseudolaric acid B β-D-glucoside, 10 mM in DMSO |
| CAS No. | 98891-41-9 |
| PubChem CID | 10031398 |
Synthetic Route by SureRoute
2. ACTMXG305 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2E,4E)-5-((3R,4S,4aS,9aR)-4a-acetoxy-3,7-dimethyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-3-yl)-2-methylpenta-2,4-dienoate
(2E,4E)-5-((3R,4S,4aS,9aR)-4a-Acetoxy-7-(methoxycarbonyl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-3-yl)-2-methylpenta-2,4-dienoic acid
methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate