| SpectraBase Spectrum ID |
ICV1FQJQEUN |
| Name |
Benzyl (1R*,4aS*,7S*,9aR*)-1-hydroxy-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epiminobenzo[7]-annulene-10-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c21-15-7-4-9-19-10-8-14(11-16(22)17(15)19)20(19)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,8,10,14-15,17,21H,4,7,9,11-12H2/t14-,15+,17+,19-/m0/s1 |
| InChIKey |
VLSZWDAGEYMQQO-MGTHKWJCSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Molecular Weight |
327.380 g/mol |
| Quality |
126 |
| Reported Formula |
C19H21NO4 |
| SMILES |
O[C@@]1(CCC[C@]23[C@]1(C(C[C@](C=C3)(N2C(=O)OCC1=CC=CC=C1)[H])=O)[H])[H] |
| SPLASH |
splash10-0006-9310000000-4d803ebbe3bad9152420 |
| Source of Spectrum |
ACI-57-SM55-4b (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.20 (EtOAc/hexane, 30%) |
| Wiley ID |
1890715 |
![Benzyl (1R*,4aS*,7S*,9aR*)-1-hydroxy-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epiminobenzo[7]-annulene-10-carboxylate](/api/spectrum/ICV1FQJQEUN/structure.png?h=300&w=458 "Benzyl (1R*,4aS*,7S*,9aR*)-1-hydroxy-9-oxo-1,2,3,4,7,8,9,9a-octahydro-4a,7-epiminobenzo[7]-annulene-10-carboxylate")
