Account methyl 4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
- Catalog No. :
- ACVJDP995
- CAS No. :
- 54422-49-0
- Molecular Formula :
- C27H32N2O10
- Molecular Weight :
- 544.56
IUPAC Name:methyl 4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
![methyl 4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl 4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate |
|---|---|
| IUPAC Name | methyl 4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,14,15,15a-octahydro-8H-5,14b-epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate |
| Molecular Formula | C27H32N2O10 |
| Molecular Weight | 544.56 |
| SMILES | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4CCC5=C(NC6=CC=CC=C56)C4(CC12)O3 |
| InChI Key | OVRROYYXOBYCSR-UHFFFAOYSA-N |
| Synonym | Cadambine;(20α)-16,17-Didehydro-3β,21β-epoxy-19α-(β-D-glucopyranosyloxy)-21a-homo-18-oxayohimban-16-carboxylic acid methyl ester;8H-5,14b-Epoxypyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(β-D-glucopyranosyloxy)-4,4a,5,6,9,14,15,15a-octahydro-, methyl ester, (4S,4aS,5S,14bS,15aS)- |
| CAS No. | 54422-49-0 |
Synthetic Route by SureRoute
2. ACVJDP995 Molecular Building Block Synthetic Route
methyl (4S,4aS,5S,14bS,15aS)-5-hydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydropyrano[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate
(4S,4aS,5R,13bS,14aS)-5-(hydroxymethyl)-1-(methoxycarbonyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4a,5,7,8,13,13b,14,14a-octahydroindolo[2,3-a]pyrano[3,4-g]quinolizine 6(4H)-oxide
methyl 5-(hydroxymethyl)-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate