Account 4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one
- Catalog No. :
- ACSMDG238
- CAS No. :
- 4589-95-1
- Molecular Formula :
- C30H44O9
- Molecular Weight :
- 548.67
IUPAC Name:4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one
![4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one |
|---|---|
| IUPAC Name | 4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one |
| Molecular Formula | C30H44O9 |
| Molecular Weight | 548.67 |
| SMILES | CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H]2O[C@]24[C@@H]3CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]42O)O[C@@H](C)[C@@H]1O |
| InChI Key | LVGNJQMAMYJAIL-FWMNQDIBSA-N |
| Synonym | 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide;Deacetyltanghinin |
| CAS No. | 4589-95-1 |
Synthetic Route by SureRoute
2. ACSMDG238 Molecular Building Block Synthetic Route
4-((1S,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one
4-(3a-hydroxy-7-((3-hydroxy-4-methoxy-6-methyl-5-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one
Cardenolide B-1