| SpectraBase Compound ID | 29DiuZoWfsk |
|---|---|
| InChI | InChI=1S/C22H35NO5/c1-3-23-9-19(2)14-7-12-16(23)21(14,8-13(25)17(19)26)15-6-11-4-5-20(12,15)18(27)22(11,28)10-24/h11-18,24-28H,3-10H2,1-2H3/t11-,12-,13+,14+,15-,16-,17?,18+,19+,20-,21+,22+/m1/s1 |
| InChIKey | WCSCSDALNSVOAH-BEYCHMHBSA-N |
| Mol Weight | 393.5 g/mol |
| Molecular Formula | C22H35NO5 |
| Exact Mass | 393.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39ib3YwP2Ax |
|---|---|
| Name | Macrocentrine |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H35NO5 |
| InChI | InChI=1S/C22H35NO5/c1-3-23-9-19(2)14-7-12-16(23)21(14,8-13(25)17(19)26)15-6-11-4-5-20(12,15)18(27)22(11,28)10-24/h11-18,24-28H,3-10H2,1-2H3/t11-,12-,13+,14+,15-,16-,17?,18+,19+,20-,21+,22+/m1/s1 |
| InChIKey | WCSCSDALNSVOAH-BEYCHMHBSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Heterocycles 26, 2331 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |