| SpectraBase Spectrum ID |
GkwhGvr1rAM |
| Name |
Metachromin H |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H39NO3 |
| InChI |
InChI=1S/C26H39NO3/c1-17(2)12-15-27-22-16-23(28)25(30)21(24(22)29)10-9-18(3)11-14-26(6)13-7-8-19(4)20(26)5/h9,16-17,19,27,30H,5,7-8,10-15H2,1-4,6H3/b18-9+/t19-,26-/m1/s1 |
| InChIKey |
AVRVYKVSLACIEA-BXSSVVBZSA-N |
| Molecular Weight |
413.602 g/mol |
| SMILES |
N(C=1C(C(=C(C(C1)=O)O)C\C=C\(CC[C@@]1(C(=C)[C@](C)(CCC1)[H])C)C)=O)CCC(C)C |
| SPLASH |
splash10-0229-0490500000-0c7a272688d219ea5023 |
| Source of Spectrum |
J-57-5776-5 |
| Synonyms |
3-{(2E)-5-[(1R,3R)-1,3-dimethyl-2-methylenecyclohexyl]-3-methyl-2-pentenyl}-2-hydroxy-5-(isopentylamino)benzo-1,4-quinone |
| Wiley ID |
1375082 |
