| SpectraBase Spectrum ID |
BonqNt2TEVU |
| Name |
[(1R*,2S*,3S*,5R*)-5-Acetoxy-2-(acetylamino)-2-methyl-3-pentylcyclohexyl]methyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H33NO5 |
| InChI |
InChI=1S/C19H33NO5/c1-6-7-8-9-16-10-18(25-15(4)23)11-17(12-24-14(3)22)19(16,5)20-13(2)21/h16-18H,6-12H2,1-5H3,(H,20,21)/t16-,17-,18+,19-/m0/s1 |
| InChIKey |
GRAQMHGXXQLVEH-OKYOBFRVSA-N |
| Molecular Weight |
355.475 g/mol |
| SMILES |
N([C@@]1([C@@](C[C@@](C[C@@]1(CCCCC)[H])(OC(=O)C)[H])(COC(=O)C)[H])C)C(=O)C |
| SPLASH |
splash10-0006-9000000000-3648b56c82ead54fa527 |
| Source of Spectrum |
J-62-4624-11 |
| Synonyms |
(1R,3R,4S,5S)-4-(acetylamino)-3-[(acetyloxy)methyl]-4-methyl-5-pentylcyclohexyl acetate |
| Wiley ID |
1345239 |
![[(1R*,2S*,3S*,5R*)-5-Acetoxy-2-(acetylamino)-2-methyl-3-pentylcyclohexyl]methyl acetate](/api/spectrum/BonqNt2TEVU/structure.png?h=300&w=458 "[(1R*,2S*,3S*,5R*)-5-Acetoxy-2-(acetylamino)-2-methyl-3-pentylcyclohexyl]methyl acetate")
