![1-.alpha.-Acetoxy-5-carbomethoxy-1,2,4,10b.alpha.-tetrahydro-8-hydroxy-3a-azabenzo[e]azulen-3-one](/api/spectrum/CQ8kCmaP7k5/structure.png?h=300&w=458 "1-.alpha.-Acetoxy-5-carbomethoxy-1,2,4,10b.alpha.-tetrahydro-8-hydroxy-3a-azabenzo[e]azulen-3-one")
| SpectraBase Compound ID | Kl3Z0iOWtXE |
|---|---|
| InChI | InChI=1S/C17H17NO6/c1-9(19)24-14-7-15(21)18-8-11(17(22)23-2)5-10-6-12(20)3-4-13(10)16(14)18/h3-6,14,16,20H,7-8H2,1-2H3/t14-,16+/m0/s1 |
| InChIKey | JVHMNPVVQGGTQN-GOEBONIOSA-N |
| Mol Weight | 331.32 g/mol |
| Molecular Formula | C17H17NO6 |
| Exact Mass | 331.105587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQ8kCmaP7k5 |
|---|---|
| Name | 1-.alpha.-Acetoxy-5-carbomethoxy-1,2,4,10b.alpha.-tetrahydro-8-hydroxy-3a-azabenzo[e]azulen-3-one |
| Alternate Name(s) | (1S,11bR)-1-acetoxy-9-hydroxy-3-keto-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylic acid methyl ester (1S,11bR)-1-acetyloxy-9-hydroxy-3-oxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylic acid methyl ester Methyl (1S,11bR)-1-acetyloxy-9-hydroxy-3-oxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate Methyl (1S,11bR)-1-acetoxy-9-hydroxy-3-oxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate Methyl (1S,11bR)-1-acetyloxy-9-oxidanyl-3-oxidanylidene-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17NO6 |
| InChI | InChI=1S/C17H17NO6/c1-9(19)24-14-7-15(21)18-8-11(17(22)23-2)5-10-6-12(20)3-4-13(10)16(14)18/h3-6,14,16,20H,7-8H2,1-2H3/t14-,16+/m0/s1 |
| InChIKey | JVHMNPVVQGGTQN-GOEBONIOSA-N |
| Molecular Weight | 331.324 g/mol |
| SMILES | Oc1ccc2c(c1)C=C(CN1C(C[C@@]([C@@]21[H])(OC(=O)C)[H])=O)C(=O)OC |
| SPLASH | splash10-00di-0391000000-8fa73ff920e451cdc10a |
| Source of Spectrum | F-68-796-19 |
| Wiley ID | 1571701 |