| SpectraBase Compound ID | 4ACShQJCalS |
|---|---|
| InChI | InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17-,20?/m1/s1 |
| InChIKey | MVWPTZQHBOWRTF-OEQXRFFVSA-N |
| Mol Weight | 381.47 g/mol |
| Molecular Formula | C20H31NO6 |
| Exact Mass | 381.215138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEKMwMGDaSa |
|---|---|
| Name | SYMPHYTINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31NO6 |
| InChI | InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17-,20?/m1/s1 |
| InChIKey | MVWPTZQHBOWRTF-OEQXRFFVSA-N |
| Literature Reference Author | N.C.KIM,N.H.OBERLIES,D.R.BRINE,R.W.HANDY,M.C.WANI,M.E.WALL |
| Literature Reference Citation | J.NAT.PROD.,64,251(2001) |
| Literature Reference DOI | 10.1021/np0004653 |
| Molecular Weight | 381.469 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3898 |