| SpectraBase Compound ID | IN4k5Sh2YBZ |
|---|---|
| InChI | InChI=1S/C41H51NO11/c1-8-42-21-38(22-46-2)18-17-28(49-5)41-27-19-39(45)29(50-6)20-40(31(34(41)42)32(51-7)33(38)41,53-37(44)24-11-15-26(48-4)16-12-24)30(27)35(39)52-36(43)23-9-13-25(47-3)14-10-23/h9-18,27-35,45H,8,19-22H2,1-7H3/t27-,28+,29+,30-,31+,32+,33-,34-,35-,38+,39+,40-,41+/m1/s1 |
| InChIKey | SIMJMGSWMMIKTI-IZCFLPNWSA-N |
| Mol Weight | 733.9 g/mol |
| Molecular Formula | C41H51NO11 |
| Exact Mass | 733.346211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NDiVyGGPjX |
|---|---|
| Name | LIACONITINE-B;N-ETHYL-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXY-13-BETA-OL-2,3-DEHYDROACONITANE-8,14-DIANISOYLATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H51NO11 |
| InChI | InChI=1S/C41H51NO11/c1-8-42-21-38(22-46-2)18-17-28(49-5)41-27-19-39(45)29(50-6)20-40(31(34(41)42)32(51-7)33(38)41,53-37(44)24-11-15-26(48-4)16-12-24)30(27)35(39)52-36(43)23-9-13-25(47-3)14-10-23/h9-18,27-35,45H,8,19-22H2,1-7H3/t27-,28+,29+,30-,31+,32+,33-,34-,35-,38+,39+,40-,41+/m1/s1 |
| InChIKey | SIMJMGSWMMIKTI-IZCFLPNWSA-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 | 733.856 g/mol |
| Solvent | CDCl3 |