| SpectraBase Spectrum ID |
9w7FGBgEwhH |
| Name |
Calycanthine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26N4 |
| InChI |
InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1 |
| InChIKey |
XSYCDVWYEVUDKQ-GXRSIYKFSA-N |
| Molecular Weight |
346.478 g/mol |
| SMILES |
N1[C@]2([C@]34[C@]([C@@](N(CC4)C)(Nc4ccccc34)[H])(CCN2C)c2c1cccc2)[H] |
| SPLASH |
splash10-0002-0009000000-2601b7cee4ba072f8248 |
| Source of Spectrum |
X2-68-1556-1575 |
| Synonyms |
(1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)]tetracosa-4,6,8,13,15,17-hexaene |
| Wiley ID |
1610265 |
