| SpectraBase Compound ID | 2QD3COGKbj3 |
|---|---|
| InChI | InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21?,22-,23+,24+,25?,26?,27+,28?,29?,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | LLEMSCWAKNQHHA-APCCFBANSA-N |
| Mol Weight | 659.8 g/mol |
| Molecular Formula | C35H49NO11 |
| Exact Mass | 659.330561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85HbpXLvJ8q |
|---|---|
| Name | YUNACONITINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO11 |
| InChI | InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21?,22-,23+,24+,25?,26?,27+,28?,29?,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | LLEMSCWAKNQHHA-APCCFBANSA-N |
| Literature Reference Author | F.P.WANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,50,55(1987) |
| Literature Reference DOI | 10.1021/np50049a009 |
| Molecular Weight | 659.774 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17498 |