| SpectraBase Spectrum ID |
CrBXqR4kqu8 |
| Name |
Nummularine-F |
| Alternate Name(s) |
(3S,7S,10S)-6-[(dimethylamino)acetyl]-10-[(1S)-1-methylpropyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.0(3,7)]nonadeca-1(17),13,15,18-tetraene-8,11-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H32N4O4 |
| InChI |
InChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/b12-10+/t15-,18-,20-,21-/m0/s1 |
| InChIKey |
JPEVGZLXTREPOA-WIDRVDCMSA-N |
| Molecular Weight |
428.533 g/mol |
| SMILES |
N1\C=C\c2ccc(O[C@]3(CCN([C@@]3(C(N[C@](C1=O)([C@](CC)(C)[H])[H])=O)[H])C(CN(C)C)=O)[H])cc2 |
| SPLASH |
splash10-056r-9100800000-3c0fa06ae656b9990ca3 |
| Source of Spectrum |
D3-1980-775-24 |
| Wiley ID |
1380701 |
