Account (3S,4R,5S,6R)-6-(((2S,4E,6E,8R,9S,10E,12S,14Z,16E)-17-((((2R,3S,4S,5S,6R)-4,5-Dihydroxy-3-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-9-ethyl-12-hydroxy-2-((R)-1-hydroxyethyl)-5,7,11-trimethyl-18-oxooxacyclooctadeca-4,6,10,14,16-pentaen-8-yl)oxy)-4,5-dihydroxy-2,2-dimethyltetrahydro-2H-pyran-3-yl isobutyrate
- Catalog No. :
- ACXNHN014
- CAS No. :
- 2294847-57-5
- Molecular Formula :
- C43H68O15
- Molecular Weight :
- 825.00
IUPAC Name:(3S,4R,5S,6R)-6-(((2S,4E,6E,8R,9S,10E,12S,14Z,16E)-17-((((2R,3S,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-9-ethyl-12-hydroxy-2-((R)-1-hydroxyethyl)-5,7,11-trimethyl-18-oxooxacyclooctadeca-4,6,10,14,16-pentaen-8-yl)oxy)-4,5-dihydroxy-2,2-dimethyltetrahydro-2H-pyran-3-yl isobutyrate
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Product Information
| Product Name | (3S,4R,5S,6R)-6-(((2S,4E,6E,8R,9S,10E,12S,14Z,16E)-17-((((2R,3S,4S,5S,6R)-4,5-Dihydroxy-3-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-9-ethyl-12-hydroxy-2-((R)-1-hydroxyethyl)-5,7,11-trimethyl-18-oxooxacyclooctadeca-4,6,10,14,16-pentaen-8-yl)oxy)-4,5-dihydroxy-2,2-dimethyltetrahydro-2H-pyran-3-yl isobutyrate |
|---|---|
| IUPAC Name | (3S,4R,5S,6R)-6-(((2S,4E,6E,8R,9S,10E,12S,14Z,16E)-17-((((2R,3S,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-9-ethyl-12-hydroxy-2-((R)-1-hydroxyethyl)-5,7,11-trimethyl-18-oxooxacyclooctadeca-4,6,10,14,16-pentaen-8-yl)oxy)-4,5-dihydroxy-2,2-dimethyltetrahydro-2H-pyran-3-yl isobutyrate |
| Molecular Formula | C43H68O15 |
| Molecular Weight | 825.00 |
| SMILES | CC[C@H]1/C=C(\C)[C@@H](O)C/C=C\C=C(/CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2OC)C(=O)O[C@H]([C@@H](C)O)C/C=C(C)/C=C(\C)[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O |
| InChI Key | RTJMQEYDAHTKPW-VKFOBAOXSA-N |
| CAS No. | 2294847-57-5 |
Synthetic Route by SureRoute
2. ACXNHN014 Molecular Building Block Synthetic Route
Phyllanthurinolactone
(R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-4-methyl-3-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-5,6-dihydro-2H-pyran-2-one
(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