| SpectraBase Compound ID | Ce166pkLP0w |
|---|---|
| InChI | InChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1 |
| InChIKey | GXDHEFQHGXMJAL-JXFMMCSMSA-N |
| Mol Weight | 488.49 g/mol |
| Molecular Formula | C24H28N2O9 |
| Exact Mass | 488.17948 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4eUBmUyEng |
|---|---|
| Name | Kopsimaline C |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28N2O9 |
| InChI | InChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1 |
| InChIKey | GXDHEFQHGXMJAL-JXFMMCSMSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070401t |
| Molecular Weight | 488.493 g/mol |
| Optical Rotation | [a]D = -27 (c = 0.09, CHCl3) |
| Reported Formula | C24H28N2O9 |
| SMILES | Oc1c(ccc2c1N([C@]13[C@@]22[C@@]4([C@@]([C@]([C@@]3(O)C(=O)OC)(O)[H])(CC1)[C@@]1([C@](CN4CC2)(O1)[H])[H])[H])C(=O)OC)OC |
| SPLASH | splash10-00v0-0227900000-054b864c404bb16a53c6 |
| Source of Spectrum | G4-71-57-3 |
| Wiley ID | 1871959 |