| SpectraBase Compound ID | 6cyUWyC9iFI |
|---|---|
| InChI | InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | UYZMNHRBMGHMRG-UQFGUHEISA-N |
| Mol Weight | 627.8 g/mol |
| Molecular Formula | C35H49NO9 |
| Exact Mass | 627.340732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba32qqjIflE |
|---|---|
| Name | LIACONITINE-C;N-ETHYL-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXY-8-ETHOXY-13-BETA-OL-2,3-DEHYDROACONITANE-14-ANISOYLATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO9 |
| InChI | InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | UYZMNHRBMGHMRG-UQFGUHEISA-N |
| Literature Reference Author | J.H.YANG,Z.Y.LI,L.LI,Y.S.WANG |
| Literature Reference Citation | PHYTOCHEM.,50,345(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00387-2 |
| Molecular Weight | 627.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11234 |