| SpectraBase Spectrum ID |
1DgKIB5L1jH |
| Name |
1-[(4R,5R,6S)-5-Acetyl-4-hydroxy-4-methyl-2-methylamino-6-(3-nitro-phenyl)-cyclohex-1-enyl]-ethanone |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O5 |
| InChI |
InChI=1S/C18H22N2O5/c1-10(21)15-14(19-4)9-18(3,23)17(11(2)22)16(15)12-6-5-7-13(8-12)20(24)25/h5-8,16-17,19,23H,9H2,1-4H3/t16-,17+,18+/m0/s1 |
| InChIKey |
SFSIYPTYTIVBKU-RCCFBDPRSA-N |
| Molecular Weight |
346.383 g/mol |
| SMILES |
N(C=1C[C@]([C@@]([C@](C1C(=O)C)(c1cc(N(=O)=O)ccc1)[H])(C(=O)C)[H])(O)C)C |
| SPLASH |
splash10-0006-9010000000-603439934ab27640d761 |
| Source of Spectrum |
D8-327-292-5 |
| Synonyms |
1-[(1R,2S,6R)-3-acetyl-6-hydroxy-6-methyl-4-(methylamino)-2-(3-nitrophenyl)-3-cyclohexen-1-yl]ethanone
1-[3'-Acetyl-6'-hydroxy-6-methyl-4'-(methylamino)-2'-(3''-nitrophenyl)cyclohex-3'-enyl]-ethanone |
| Wiley ID |
1515209 |
![1-[(4R,5R,6S)-5-Acetyl-4-hydroxy-4-methyl-2-methylamino-6-(3-nitro-phenyl)-cyclohex-1-enyl]-ethanone](/api/spectrum/1DgKIB5L1jH/structure.png?h=300&w=458 "1-[(4R,5R,6S)-5-Acetyl-4-hydroxy-4-methyl-2-methylamino-6-(3-nitro-phenyl)-cyclohex-1-enyl]-ethanone")
