| SpectraBase Spectrum ID |
KR40MHbrKAe |
| Name |
2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38N2O2S2 |
| InChI |
InChI=1S/C27H38N2O2S2/c1-20(2)9-7-10-21(3)24-14-15-25-22(12-8-17-27(24,25)4)11-5-6-18-32-33-26-16-13-23(19-28-26)29(30)31/h12-13,16,19-21,24-25H,6-10,14-15,17-18H2,1-4H3/t21-,24-,25+,27-/m1/s1 |
| InChIKey |
GCHKPJMBTGDBKV-IEZWVHQFSA-N |
| Molecular Weight |
486.733 g/mol |
| SMILES |
[C@@]12(C)CCC=C([C@]2([H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C#CCCSSc1ncc(N(=O)=O)cc1 |
| SPLASH |
splash10-001i-0009200000-6f9d45fde0e72fab2c01 |
| Source of Spectrum |
F-68-1816-16e |
| Synonyms |
2-[4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyldisulfanyl]-5-nitropyridine
2-[4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyldisulfanyl]-5-nitro-pyridine |
| Wiley ID |
1707797 |
![2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine](/api/spectrum/KR40MHbrKAe/structure.png?h=300&w=458 "2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine")
