| SpectraBase Compound ID | 7PXyhHc0dHe |
|---|---|
| InChI | InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32+,33-,34-,35-,37-,38-,39+,40-,41-,43-,44+,45-,46-/m0/s1 |
| InChIKey | FTGOWEQDZZMPNJ-ZMESZTMTSA-N |
| Mol Weight | 850.1 g/mol |
| Molecular Formula | C46H75NO13 |
| Exact Mass | 849.523841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7Yr6H61ZZZ |
|---|---|
| Name | TOLYTOXIN;MAJOR_ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H75NO13 |
| InChI | InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32+,33-,34-,35-,37-,38-,39+,40-,41-,43-,44+,45-,46-/m0/s1 |
| InChIKey | FTGOWEQDZZMPNJ-ZMESZTMTSA-N |
| Literature Reference Author | S.CARMELI,R.E.MOORE,G.M.L.PATTERSON |
| Literature Reference Citation | J.NAT.PROD.,53,1533(1990) |
| Literature Reference DOI | 10.1021/np50072a021 |
| Molecular Weight | 850.100 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ11469 |