![Pyrazino[2',3' : 2,3 ; 5',6' : 2,3]bis(5.alpha.-cholestane)](/api/spectrum/68glDxufiBR/structure.png?h=300&w=458 "Pyrazino[2',3' : 2,3 ; 5',6' : 2,3]bis(5.alpha.-cholestane)")
| SpectraBase Compound ID | KJqM1bqU0q4 |
|---|---|
| InChI | InChI=1S/C54H88N2/c1-33(2)13-11-15-35(5)41-21-23-43-39-19-17-37-29-47-49(31-53(37,9)45(39)25-27-51(41,43)7)55-48-30-38-18-20-40-44-24-22-42(36(6)16-12-14-34(3)4)52(44,8)28-26-46(40)54(38,10)32-50(48)56-47/h33-46H,11-32H2,1-10H3/t35-,36-,37+,38+,39?,40?,41-,42-,43?,44?,45?,46?,51-,52-,53+,54+/m1/s1 |
| InChIKey | CKMPPNSWHJFGIM-YYYXREHMSA-N |
| Mol Weight | 765.3 g/mol |
| Molecular Formula | C54H88N2 |
| Exact Mass | 764.694751 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 68glDxufiBR |
|---|---|
| Name | Pyrazino[2',3' : 2,3 ; 5',6' : 2,3]bis(5.alpha.-cholestane) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C54H88N2 |
| InChI | InChI=1S/C54H88N2/c1-33(2)13-11-15-35(5)41-21-23-43-39-19-17-37-29-47-49(31-53(37,9)45(39)25-27-51(41,43)7)55-48-30-38-18-20-40-44-24-22-42(36(6)16-12-14-34(3)4)52(44,8)28-26-46(40)54(38,10)32-50(48)56-47/h33-46H,11-32H2,1-10H3/t35-,36-,37+,38+,39?,40?,41-,42-,43?,44?,45?,46?,51-,52-,53+,54+/m1/s1 |
| InChIKey | CKMPPNSWHJFGIM-YYYXREHMSA-N |
| Molecular Weight | 765.312 g/mol |
| SMILES | [C@]12(C3C(C4[C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC4)(C)CC3)CC[C@]1(Cc1nc3C[C@@]4(C5C(C6CC[C@@]([C@]6(CC5)C)([C@@](CCCC(C)C)(C)[H])[H])CC[C@]4(Cc3nc1C2)[H])C)[H])C |
| SPLASH | splash10-000i-9200000000-b32b9de6867a8dda4da4 |
| Source of Spectrum | G-63-1595-9 |
| Wiley ID | 749324 |