Account 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium
- Catalog No. :
- ACCKRB137
- CAS No. :
- 6871-44-9
- Molecular Formula :
- C22H29N2O4+
- Molecular Weight :
- 385.48
IUPAC Name:4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium
![4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium |
|---|---|
| IUPAC Name | 4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium |
| MDL No. | MFCD01939553 |
| Molecular Formula | C22H29N2O4+ |
| Molecular Weight | 385.48 |
| SMILES | CC=C1C[N+]2(C)CCC34C5=CC=CC=C5NC32C(O)CC1C4(CO)C(=O)OC |
| InChI Key | AFJPGVUCVDCFPM-UHFFFAOYSA-N |
| Synonym | (16R)-3β,17-Dihydroxy-16-(methoxycarbonyl)-4-methyl-2,4(1H)-cyclo-3,4-secoakuammilan-4-ium;(16R)-3β,17-Dihydroxy-16-methoxycarbonyl-4-methyl-2,4(1H)-cyclo-3,4-secoakuammilan-4-ium;2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, (3.beta.,16R)-;Echetamine base;Nsc296565;echitamine;2,4(1H)-CYCLO-3,4-SECOAKUAMMILANIUM, 3,17-DIHYDROXY-16-(METHOXYCARBONY L)-4-METHY;13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium,4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-,(1S,3S,4E,8aS,13aR,14R)- |
| CAS No. | 6871-44-9 |
Synthetic Route by SureRoute
2. ACCKRB137 Molecular Building Block Synthetic Route
(1S,3S,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium chloride
methyl (Z)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate
(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate