| SpectraBase Spectrum ID |
LNwpTwQpK4B |
| Name |
(1R*,4aS*,7S*,9aR*)-1-Hydroxy-10-((4-nitrophenyl)sulfonyl)-1,3,4,7,8,9a-hexahydro-4a,7-epimino-benzo[7]annulen-9(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.088557476 u |
| Formula |
C17H18N2O6S |
| InChI |
InChI=1S/C17H18N2O6S/c20-14-2-1-8-17-9-7-12(10-15(21)16(14)17)18(17)26(24,25)13-5-3-11(4-6-13)19(22)23/h3-7,9,12,14,16,20H,1-2,8,10H2/t12-,14+,16+,17-/m0/s1 |
| InChIKey |
GWJWRVWWYLTYGL-JFOHDYCDSA-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 |
378.399 g/mol |
| Quality |
7 |
| Reported Formula |
C17H18N2O6S |
| SMILES |
O[C@@]1(CCC[C@]23[C@]1(C(C[C@](C=C3)(N2S(C1=CC=C(C=C1)[N+]([O-])=O)(=O)=O)[H])=O)[H])[H] |
| SPLASH |
splash10-00di-0902000000-6de9fdf4006a50fae56e |
| Source of Spectrum |
ACI-57-SM60-4e (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.19 (EtOAc/hexane, 30%) |
| Wiley ID |
1890717 |
![(1R*,4aS*,7S*,9aR*)-1-Hydroxy-10-((4-nitrophenyl)sulfonyl)-1,3,4,7,8,9a-hexahydro-4a,7-epimino-benzo[7]annulen-9(2H)-one](/api/spectrum/LNwpTwQpK4B/structure.png?h=300&w=458 "(1R*,4aS*,7S*,9aR*)-1-Hydroxy-10-((4-nitrophenyl)sulfonyl)-1,3,4,7,8,9a-hexahydro-4a,7-epimino-benzo[7]annulen-9(2H)-one")
