| SpectraBase Compound ID | BaBiLxW4qgk |
|---|---|
| InChI | InChI=1S/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21?,22-,24+,25+,26-,27-,29+,31-/m1/s1 |
| InChIKey | LMFMOBJDPHWCJT-KQVVULBTSA-N |
| Mol Weight | 609.7 g/mol |
| Molecular Formula | C31H47NO11 |
| Exact Mass | 609.314911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVNDux02k29 |
|---|---|
| Name | THEOPEDERIN-L;6-HYDROXY-18-EN-THEOPEDERIN-G |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H47NO11 |
| InChI | InChI=1S/C31H47NO11/c1-18-16-31(39-7,43-20(3)19(18)2)26(36)28(37)32-29-25-24(40-17-41-29)27(38-6)30(4,5)22(42-25)15-21(33)13-11-9-8-10-12-14-23(34)35/h8,10-14,19-22,24-27,29,33,36H,1,9,15-17H2,2-7H3,(H,32,37)(H,34,35)/b10-8+,13-11+,14-12+/t19-,20-,21?,22-,24+,25+,26-,27-,29+,31-/m1/s1 |
| InChIKey | LMFMOBJDPHWCJT-KQVVULBTSA-N |
| Literature Reference Author | G.K.PAUL,S.P.GUNASEKERA,R.E.LONGLEY,S.A.POMPONI |
| Literature Reference Citation | J.NAT.PROD.,65,59(2002) |
| Literature Reference DOI | 10.1021/np0103766 |
| Molecular Weight | 609.714 g/mol |
| Solvent | CD3OD:CDCl3=1:9 |
| Source File Reference | UWSI2646 |