| SpectraBase Spectrum ID |
1W2fXJV4qG3 |
| Name |
Methyl (2S,3R,5S)-5-[(S)-2'-formamido-4'-methylpentanoyloxy]-2-hexyl-3-[nitryloxy]hexadecanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H56N2O8 |
| InChI |
InChI=1S/C30H56N2O8/c1-6-8-10-12-13-14-15-16-17-19-25(39-30(35)27(31-23-33)21-24(3)4)22-28(40-32(36)37)26(29(34)38-5)20-18-11-9-7-2/h23-28H,6-22H2,1-5H3,(H,31,33)/t25-,26-,27?,28+/m0/s1 |
| InChIKey |
PJURTFOCUXYRPW-YDSWCATOSA-N |
| Molecular Weight |
572.784 g/mol |
| SMILES |
N(C=O)C(C(O[C@](C[C@@](ON(=O)=O)([C@@](C(=O)OC)(CCCCCC)[H])[H])(CCCCCCCCCCC)[H])=O)CC(C)C |
| SPLASH |
splash10-0udi-0009300000-913010d179157d0a9b61 |
| Source of Spectrum |
H-75-1601-8 |
| Synonyms |
methyl (2S,3R,5S)-5-{[2-(formylamino)-4-methylpentanoyl]oxy}-2-hexyl-3-(nitrooxy)hexadecanoate |
| Wiley ID |
1407854 |
![Methyl (2S,3R,5S)-5-[(S)-2'-formamido-4'-methylpentanoyloxy]-2-hexyl-3-[nitryloxy]hexadecanoate](/api/spectrum/1W2fXJV4qG3/structure.png?h=300&w=458 "Methyl (2S,3R,5S)-5-[(S)-2'-formamido-4'-methylpentanoyloxy]-2-hexyl-3-[nitryloxy]hexadecanoate")
