| SpectraBase Compound ID | 9pFgJUk3zJB |
|---|---|
| InChI | InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23) |
| InChIKey | NFYYATWFXNPTRM-UHFFFAOYSA-N |
| Mol Weight | 322.41 g/mol |
| Molecular Formula | C20H22N2O2 |
| Exact Mass | 322.168128 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HAV5zqibnzH |
|---|---|
| Name | Gelsemine |
| Alternate Name(s) | Gelsemin Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl- Spiro[3,5,8-ethanylylidene-1H-pyrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methyl-, [3R-(3.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.,9S,10S)]- [3R-(3.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.,9S*,10S*)]-5-Etheny l-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro[3,5,8-ethanylylidene-1H-p yrano[3,4-c]pyridine-10,3'-[3H]indol]-2'(1'H)-one BRN 5406576 EINECS 208-095-2 HSDB 3488 NSC 21729 |
| CAS Registry Number | 509-15-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N2O2 |
| InChI | InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23) |
| InChIKey | NFYYATWFXNPTRM-UHFFFAOYSA-N |
| Molecular Weight | 322.408 g/mol |
| SMILES | N1c2ccccc2C2(C1=O)C1C3(C=C)C4CC2OCC4C1N(C)C3 |
| SPLASH | splash10-0adi-3931000000-1e9acd709e630d87543a |
| Source of Spectrum | CD-38-0-0 |
| Wiley ID | 1321949 |