| SpectraBase Compound ID | 55dIrVznBZj |
|---|---|
| InChI | InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15?,17-,18?,19+,20+,21?,22?,23?,25?,26+,27-,28-,29?/m1/s1 |
| InChIKey | OWPWFVVPBYFKBG-CWAGZUSLSA-N |
| Mol Weight | 532.6 g/mol |
| Molecular Formula | C29H40O9 |
| Exact Mass | 532.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qlUvPduCxo |
|---|---|
| Name | Calotropin, (3.beta.-R,5.alpha.-H) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H40O9 |
| InChI | InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15?,17-,18?,19+,20+,21?,22?,23?,25?,26+,27-,28-,29?/m1/s1 |
| InChIKey | OWPWFVVPBYFKBG-CWAGZUSLSA-N |
| Literature Reference | Phytochem. 22, 923 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH3OH |