Account (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
- Catalog No. :
- ACMWJB575
- CAS No. :
- 98891-44-2
- Molecular Formula :
- C28H38O11
- Molecular Weight :
- 550.60
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | - |
| Molecular Formula | C28H38O11 |
| Molecular Weight | 550.60 |
| SMILES | CC(=O)O[C@]12CCC(C)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC3=O |
| InChI Key | IVYWRYGMQNKDQB-VHJBJYHKSA-N |
| Synonym | PD196254 | E88597 | A-D-glucopyranoside | Pseudolaric Acid A-O-beta-D-glucopyranoside | DTXSID001276462 | MS-30074 | Pseudolaric acid A-O- | HY-N4088 | PseudolaricacidAbeta-D-glucoside | AC-34823 | CS-0032091 | pseudolaric acid A O-beta-d-glucopyranoside |
| CAS No. | 98891-44-2 |
| PubChem CID | 44566375 |
Synthetic Route by SureRoute
2. ACMWJB575 Molecular Building Block Synthetic Route
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
43H-18,22-Epoxy-6,9-ethano-29,32-methano-42a,35,38-[1]propanyl[3]ylidene-2H,11H,24H,29H-dibenzo[z,e1]dipyrano[3,2-t:2′,3′-i1][1,3,6,12,19,22,34]heptaoxacyclohexatriacontin, olean-12-en-28-oic acid deriv.
Methyl (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