| SpectraBase Compound ID | LGBLEN9fK1M |
|---|---|
| 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- |
| InChIKey | XSYCDVWYEVUDKQ-ZDNVTZCJSA-N |
| Mol Weight | 346.48 g/mol |
| Molecular Formula | C22H26N4 |
| Exact Mass | 346.215747 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | iaeJI75A6s |
|---|---|
| Name | Calycanthine |
| CAS Registry Number | 16739-56-3 |
| 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- |
| InChIKey | XSYCDVWYEVUDKQ-ZDNVTZCJSA-N |
| Molecular Weight | 346.478 g/mol |
| SMILES | N1[C@@]2([C@]34[C@@]([C@@](N(CC4)C)(Nc4ccccc34)[H])(CCN2C)c2c1cccc2)[H] |
| SPLASH | splash10-0002-0149000000-8bf245176c7b7ce97db6 |
| Source of Spectrum | AD-0-1316-0 |
| Synonyms | 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl- 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]- 5,10b:11,4b-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-, (4bS,5R,10bS,11R) EINECS 209-857-7 NSC 99016 |
| Wiley ID | 1339591 |