| SpectraBase Compound ID | 22iNMsiA5qa |
|---|---|
| InChI | InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18?,19-,20?,21?,22+,23+,24+,25-,26+,27-,28+/m1/s1 |
| InChIKey | NHTXVOKRJSZBJV-WDCFJLAZSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C28H48N2O2 |
| Exact Mass | 444.371579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5otYIwCSRKQ |
|---|---|
| Name | Cyclomicrophylline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48N2O2 |
| InChI | InChI=1S/C28H48N2O2/c1-18(29(5)6)23-19(32)15-26(4)21-10-9-20-24(2,17-31)22(30(7)8)11-12-27(20)16-28(21,27)14-13-25(23,26)3/h9-10,18-23,31-32H,11-17H2,1-8H3/t18?,19-,20?,21?,22+,23+,24+,25-,26+,27-,28+/m1/s1 |
| InChIKey | NHTXVOKRJSZBJV-WDCFJLAZSA-N |
| Molecular Weight | 444.704 g/mol |
| SMILES | OC[C@]1(C2[C@@]3([C@]4(C([C@@]5(C[C@]([C@@]([C@]5(CC4)C)(C(N(C)C)C)[H])(O)[H])C)C=C2)C3)CC[C@@]1(N(C)C)[H])C |
| SPLASH | splash10-00di-9305700000-63a1527f0652fb274a79 |
| Source of Spectrum | X2-54-82-4 |
| Wiley ID | 1603862 |