| SpectraBase Compound ID | 69ezSl5kqUi |
|---|---|
| InChI | InChI=1S/C21H26N2O4/c1-11(24)20-10-22(2)17-12-9-27-16(8-14(12)20)21(18(17)20)13-6-4-5-7-15(13)23(26-3)19(21)25/h4-7,11-12,14,16-18,24H,8-10H2,1-3H3 |
| InChIKey | HNTFOMODUWFBCP-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C21H26N2O4 |
| Exact Mass | 370.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 80TEZceU9yv |
|---|---|
| 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 | 114027-49-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O4 |
| InChI | InChI=1S/C21H26N2O4/c1-11(24)20-10-22(2)17-12-9-27-16(8-14(12)20)21(18(17)20)13-6-4-5-7-15(13)23(26-3)19(21)25/h4-7,11-12,14,16-18,24H,8-10H2,1-3H3 |
| InChIKey | HNTFOMODUWFBCP-UHFFFAOYSA-N |
| Molecular Weight | 370.449 g/mol |
| SMILES | OC(C12C3C4(C(N(OC)c5c4cccc5)=O)C4CC2C(C3N(C)C1)CO4)C |
| SPLASH | splash10-0uka-0689000000-46f4e08916d392d7188d |
| Source of Spectrum | F-44-5090-19 |
| Wiley ID | 1354370 |