| SpectraBase Compound ID | 6mU0xJiIhAF |
|---|---|
| InChI | InChI=1S/C46H54O14/c1-5-25-21-41(4,52)45(54)35-24(3)44-32-19-23(2)34(56-39(50)31(14-10-9-11-27-20-30(25)27)55-38(49)26-15-17-29(48)18-16-26)43(32,53)40(51)42(22-47)36(57-42)33(44)37(45)59-46(58-35,60-44)28-12-7-6-8-13-28/h6-18,23-25,27,30-37,40,47-48,51-54H,5,19-22H2,1-4H3/b11-9+,14-10+/t23-,24+,25+,27-,30-,31+,32+,33-,34-,35-,36-,37+,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | RYBMPKZDGZWCCZ-OYPSLCHFSA-N |
| Mol Weight | 830.9 g/mol |
| Molecular Formula | C46H54O14 |
| Exact Mass | 830.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0JVzYaD8VU |
|---|---|
| Name | TRIGOCHILIDE-A |
| Compound Number | 78 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O14 |
| InChI | InChI=1S/C46H54O14/c1-5-25-21-41(4,52)45(54)35-24(3)44-32-19-23(2)34(56-39(50)31(14-10-9-11-27-20-30(25)27)55-38(49)26-15-17-29(48)18-16-26)43(32,53)40(51)42(22-47)36(57-42)33(44)37(45)59-46(58-35,60-44)28-12-7-6-8-13-28/h6-18,23-25,27,30-37,40,47-48,51-54H,5,19-22H2,1-4H3/b11-9+,14-10+/t23-,24+,25+,27-,30-,31+,32+,33-,34-,35-,36-,37+,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | RYBMPKZDGZWCCZ-OYPSLCHFSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 830.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13529 |