| SpectraBase Compound ID | C2X6pHKWLJr |
|---|---|
| InChI | InChI=1S/C24H27NO5/c1-27-20-8-7-15-16-10-14-6-5-9-25(14,26)13-19(16)17-11-21(28-2)22(29-3)12-18(17)23(15)24(20)30-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-,25-/m0/s1 |
| InChIKey | DMXRQESJIQTZCZ-SXBQZSJRSA-N |
| Mol Weight | 409.48 g/mol |
| Molecular Formula | C24H27NO5 |
| Exact Mass | 409.188923 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4G2662xXFnb |
|---|---|
| Name | 10s,13aS-isotylocrebine - N-oxide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H27NO5 |
| InChI | InChI=1S/C24H27NO5/c1-27-20-8-7-15-16-10-14-6-5-9-25(14,26)13-19(16)17-11-21(28-2)22(29-3)12-18(17)23(15)24(20)30-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-,25-/m0/s1 |
| InChIKey | DMXRQESJIQTZCZ-SXBQZSJRSA-N |
| Molecular Weight | 409.482 g/mol |
| SMILES | C1[N@@+]2([C@](Cc3c4c(c5c(c13)cc(c(c5)OC)OC)c(c(cc4)OC)OC)(CCC2)[H])[O-] |
| SPLASH | splash10-00sr-0904000000-7880bd6b406cd34b0e8b |
| Source of Spectrum | X2-68-1074-8 |
| Synonyms | 3,4,6,7-Tetramethoxyphenanthroindolizidine-N-Oxide-13aS (10S,13aS)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium (10S,13aS)-3,4,6,7-tetramethoxy-10-oxidanidyl-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium |
| Wiley ID | 1609642 |