| SpectraBase Compound ID | Fn7ypjovGkB |
|---|---|
| InChI | InChI=1S/C20H21NO9/c1-8(22)28-16-5-12-11-4-14-15(27-7-26-14)6-13(11)20(25)21-17(12)19(30-10(3)24)18(16)29-9(2)23/h4,6,12,16-19H,5,7H2,1-3H3,(H,21,25)/t12-,16+,17-,18-,19+/m1/s1 |
| InChIKey | PFRIIIIZSBDKMP-QKPHTXKDSA-N |
| Mol Weight | 419.39 g/mol |
| Molecular Formula | C20H21NO9 |
| Exact Mass | 419.121631 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FEzAH5OtaW4 |
|---|---|
| Name | 7-Deoxy-(cis)-dihydronarciclasine - Triacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H21NO9 |
| InChI | InChI=1S/C20H21NO9/c1-8(22)28-16-5-12-11-4-14-15(27-7-26-14)6-13(11)20(25)21-17(12)19(30-10(3)24)18(16)29-9(2)23/h4,6,12,16-19H,5,7H2,1-3H3,(H,21,25)/t12-,16+,17-,18-,19+/m1/s1 |
| InChIKey | PFRIIIIZSBDKMP-QKPHTXKDSA-N |
| Molecular Weight | 419.386 g/mol |
| SMILES | N1C(c2c([C@]3(C[C@@]([C@]([C@]([C@]13[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])cc1c(c2)OCO1)=O |
| SPLASH | splash10-000i-0090100000-996cb8a8f9753e7af592 |
| Source of Spectrum | X2-55-1578-14 |
| Synonyms | 7-Deoxy-(trans)-dihydronarciclasine - Triacetate Acetic acid [(2S,3R,4S,4aR,11bR)-3,4-diacetyloxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl] ester [(2S,3R,4S,4aR,11bR)-3,4-diacetyloxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl] acetate [(2S,3R,4S,4aR,11bR)-3,4-diacetoxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl] acetate [(2S,3R,4S,4aR,11bR)-3,4-diacetyloxy-6-oxidanylidene-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl] ethanoate |
| Wiley ID | 1604630 |