Account Delgrandine
- Catalog No. :
- ACACUN837
- CAS No. :
- 145237-05-4
- Molecular Formula :
- C41H43NO12
- Molecular Weight :
- 741.79
IUPAC Name:(1S,2R,3R,4S,4aS,5R,6aR,6bS,7S,8R,10aR,11R,11aR,12S,13S)-2,7-bis(benzoyloxy)-4-formyl-13-hydroxy-4,6-dimethyl-9-methylenedodecahydro-1H,11H-5,10a:8,11-dimethanoindeno[1,2-c]isoindole-1,3,12-triyl triacetate
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Product Information
| Product Name | Delgrandine |
|---|---|
| IUPAC Name | (1S,2R,3R,4S,4aS,5R,6aR,6bS,7S,8R,10aR,11R,11aR,12S,13S)-2,7-bis(benzoyloxy)-4-formyl-13-hydroxy-4,6-dimethyl-9-methylenedodecahydro-1H,11H-5,10a:8,11-dimethanoindeno[1,2-c]isoindole-1,3,12-triyl triacetate |
| Molecular Formula | C41H43NO12 |
| Molecular Weight | 741.79 |
| SMILES | C=C1C[C@]23[C@@H]4[C@H](OC(=O)C5=CC=CC=C5)[C@H]1[C@@H](OC(C)=O)[C@H]2[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)C5=CC=CC=C5)[C@H](OC(C)=O)[C@@](C)(C=O)[C@H]1[C@H]([C@H]3O)N(C)[C@H]42 |
| InChI Key | XDDAEJYWWRYPIF-IHGRXPIOSA-N |
| Synonym | Delgrandine;11H-5,10a:8,11-Dimethano-1H-indeno[1,2-c]isoindole-4-carboxaldehyde, 1,3,12-tris(acetyloxy)-2,7-bis(benzoyloxy)dodecahydro-13-hydroxy-4,6-dimethyl-9-methylene-, (1S,2R,3R,4S,4aS,5R,6aR,6bS,7S,8R,10aR,11R,11aR,12S,13S)- |
| CAS No. | 145237-05-4 |
Synthetic Route by SureRoute
2. ACACUN837 Molecular Building Block Synthetic Route
(3S,6S,6aR,7R,7aR,8R,9R,10S,11S,11aR,12S,14R)-11a-acetoxy-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
(3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-11a-Acetoxy-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
(7R,7aR,8R,9R,10S,11aR,12aR,13S,14S)-8-(benzoyloxy)-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,11a-diyl diacetate