Account INX-SM-56
- Catalog No. :
- ACKNBO499
- CAS No. :
- 2734878-18-1
- Molecular Formula :
- C32H36N2O6S
- Molecular Weight :
- 576.72
IUPAC Name:(6aR,6bS,7S,8aS,8bS,10S,11aR,12aS,12bS)-10-(2-(3-aminobenzyl)thiazol-5-yl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
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Product Information
| Product Name | INX-SM-56 |
|---|---|
| IUPAC Name | (6aR,6bS,7S,8aS,8bS,10S,11aR,12aS,12bS)-10-(2-(3-aminobenzyl)thiazol-5-yl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one |
| Molecular Formula | C32H36N2O6S |
| Molecular Weight | 576.72 |
| SMILES | O=C(C=C[C@@]12C)C=C1CC[C@@]([C@]2([H])[C@@H](O)C[C@@]34C)([H])[C@]3([H])C[C@]5([H])[C@@]4(C(CO)=O)O[C@@H](C6=CN=C(CC7=CC=CC(N)=C7)S6)O5 |
| InChI Key | NJJMSRHGOQXBCC-WNDHDDCZSA-N |
| Synonym | Pregna-1,4-diene-3,20-dione, 16,17-[[(S)-[2-[(3-aminophenyl)methyl]-5-thiazolyl]methylene]bis(oxy)]-11,21-dihydroxy-, (11β,16α)-;INX-SM-56 |
| CAS No. | 2734878-18-1 |
Synthetic Route by SureRoute
2. ACKNBO499 Molecular Building Block Synthetic Route
INX-SM-6
(6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-aminobenzyl)phenyl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
(2S,6aS,6bR,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-aminobenzyl)phenyl)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one