Account (3R,4R,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14S)-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
- Catalog No. :
- ACYVKI190
- CAS No. :
- 81941-14-2
- Molecular Formula :
- C50H75NO11
- Molecular Weight :
- 866.15
IUPAC Name:(3R,4R,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14S)-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
![(3R,4R,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14S)-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)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,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14S)-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate |
|---|---|
| IUPAC Name | (3R,4R,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14S)-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate |
| Molecular Formula | C50H75NO11 |
| Molecular Weight | 866.15 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]12[C@@H]3[C@H](OC)[C@@H]4[C@]5(COC)CN(CC)[C@H]3[C@]4([C@@H](OC)C[C@H]5O)[C@@H]3C[C@](O)([C@H](OC(=O)C4=CC=CC=C4)[C@@H]31)[C@@H](OC)[C@@H]2O |
| InChI Key | BJOATYSXWDPNJK-AXGVEGNCSA-N |
| Synonym | Lipoaconitine;Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate 8-(9Z,12Z)-9,12-octadecadienoate, (1α,3α,6α,14α,15α,16β)- |
| CAS No. | 81941-14-2 |
Synthetic Route by SureRoute
2. ACYVKI190 Molecular Building Block Synthetic Route
(3S,6S,6aR,7R,7aR,8R,9S,10S,11S,11aR,12S,12aR,14R)-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-11a-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)tetradecahydro-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
(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