| SpectraBase Compound ID | JwLS85NVLjp |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16?,17?,18-,19?,20?,21-,22?,23?,24?,25?,26+,27?/m1/s1 |
| InChIKey | JALVTHFTYRPDMB-NIHXZLPOSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iJGIhsrl3h |
|---|---|
| Name | Demissidine |
| CAS Registry Number | 104527-33-5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16?,17?,18-,19?,20?,21-,22?,23?,24?,25?,26+,27?/m1/s1 |
| InChIKey | JALVTHFTYRPDMB-NIHXZLPOSA-N |
| Literature Reference | Tetrahedron Lett. 903 (1977). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |