| SpectraBase Compound ID | FdBdedLd7gK |
|---|---|
| InChI | InChI=1S/C28H47NO3/c1-16-14-28(31-5)25(29-15-16)17(2)24-23(32-28)13-22-20-7-6-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,24)4/h16-25,29-30H,6-15H2,1-5H3/t16?,17?,18-,19+,20+,21+,22-,23?,24+,25+,26-,27-,28-/m0/s1 |
| InChIKey | KYDJODRINGWTJW-FFGZZBAFSA-N |
| Mol Weight | 445.7 g/mol |
| Molecular Formula | C28H47NO3 |
| Exact Mass | 445.355594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9h0ogElogmi |
|---|---|
| Name | Aculeamine(22,26-epimino-23.beta.-methoxy-16.alpha.,23-epoxy-5.alpha.,22.alpha.-H,25.beta.-H-cholestane-3.beta.-ol) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H47NO3 |
| InChI | InChI=1S/C28H47NO3/c1-16-14-28(31-5)25(29-15-16)17(2)24-23(32-28)13-22-20-7-6-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,24)4/h16-25,29-30H,6-15H2,1-5H3/t16?,17?,18-,19+,20+,21+,22-,23?,24+,25+,26-,27-,28-/m0/s1 |
| InChIKey | KYDJODRINGWTJW-FFGZZBAFSA-N |
| Literature Reference | Phytochem. 23, 883 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |