Account (3S,6S,6aS,7R,7aR,8S,9S,10S,11aR,12aR,13R,14R)-1-ethyl-6,8-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate
- Catalog No. :
- ACLRGP653
- CAS No. :
- 2065228-59-1
- Molecular Formula :
- C31H43NO7
- Molecular Weight :
- 541.68
IUPAC Name:(3S,6S,6aS,7R,7aR,8S,9S,10S,11aR,12aR,13R,14R)-1-ethyl-6,8-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate
![(3S,6S,6aS,7R,7aR,8S,9S,10S,11aR,12aR,13R,14R)-1-ethyl-6,8-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,6S,6aS,7R,7aR,8S,9S,10S,11aR,12aR,13R,14R)-1-ethyl-6,8-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate |
|---|---|
| IUPAC Name | (3S,6S,6aS,7R,7aR,8S,9S,10S,11aR,12aR,13R,14R)-1-ethyl-6,8-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate |
| Molecular Formula | C31H43NO7 |
| Molecular Weight | 541.68 |
| SMILES | CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC(=O)C5=CC=CC=C5)(C[C@@H]6OC)C([C@H](OC)[C@H]23)[C@@H]14 |
| InChI Key | BKAIYZAGPZZPPF-WAFIBSPFSA-N |
| Synonym | Carmichaenine A;Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 8-benzoate, (1α,6α,14α,16β)- |
| CAS No. | 2065228-59-1 |
Synthetic Route by SureRoute
2. ACLRGP653 Molecular Building Block Synthetic Route
(3S,6S,6aR,7S,7aS,8S,9S,10S,11aS,12aR,13R,14R)-1-ethyl-6,7,8-trihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-11a-yl benzoate
1-ethyl-6,11a-dihydroxy-10,13-dimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
1-ethyl-6,11a,13-trihydroxy-10-methoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate