Account (3R,4R,7R,9R,10S,11S,11aR,12S,12aS,13R,14S)-11a-ethoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
- Catalog No. :
- ACAQKA514
- CAS No. :
- 124256-81-1
- Molecular Formula :
- C34H49NO10
- Molecular Weight :
- 631.76
IUPAC Name:(3R,4R,7R,9R,10S,11S,11aR,12S,12aS,13R,14S)-11a-ethoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
![(3R,4R,7R,9R,10S,11S,11aR,12S,12aS,13R,14S)-11a-ethoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,4R,7R,9R,10S,11S,11aR,12S,12aS,13R,14S)-11a-ethoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate |
|---|---|
| IUPAC Name | (3R,4R,7R,9R,10S,11S,11aR,12S,12aS,13R,14S)-11a-ethoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate |
| Molecular Formula | C34H49NO10 |
| Molecular Weight | 631.76 |
| SMILES | CCO[C@]12C3C(OC(=O)C4=CC=CC=C4)[C@](O)(C[C@H]3C34C(OC)C[C@@H](O)[C@@]5(COC)CN(CC)[C@H]3[C@@H]1[C@H](OC)[C@@H]45)[C@@H](OC)[C@@H]2O |
| InChI Key | YFNWMBCDYXJELF-HPWVRHJRSA-N |
| Synonym | Aconitane-3,13,14,15-tetrol, 8-ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-;SpicatineA |
| CAS No. | 124256-81-1 |
Synthetic Route by SureRoute
2. ACAQKA514 Molecular Building Block Synthetic Route
(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
(3S,6S,7S,7aR,8R,9S,10S,11S,11aR,13R,14R)-11a-acetoxy-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
(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