| SpectraBase Compound ID | 2lWf2u6UPsA |
|---|---|
| InChI | InChI=1S/C44H71NO12/c1-10-31-18-25(2)17-26(3)19-37(53-8)40-38(54-9)21-28(5)44(51,57-40)43(24-55-43)42(50)45-16-12-11-13-32(45)41(49)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)52-7/h18,20,26,28-34,36-40,46-47,51H,10-17,19,21-24H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,43-,44+/m0/s1 |
| InChIKey | VZDNBUDUQQAHJB-AFXHRVGJSA-N |
| Mol Weight | 806.0 g/mol |
| Molecular Formula | C44H71NO12 |
| Exact Mass | 805.497627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IinP0XHxmPp |
|---|---|
| Name | VZDNBUDUQQAHJB-AFXHRVGJSA-N |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H71NO12 |
| InChI | InChI=1S/C44H71NO12/c1-10-31-18-25(2)17-26(3)19-37(53-8)40-38(54-9)21-28(5)44(51,57-40)43(24-55-43)42(50)45-16-12-11-13-32(45)41(49)56-39(29(6)34(47)23-35(31)48)27(4)20-30-14-15-33(46)36(22-30)52-7/h18,20,26,28-34,36-40,46-47,51H,10-17,19,21-24H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,43-,44+/m0/s1 |
| InChIKey | VZDNBUDUQQAHJB-AFXHRVGJSA-N |
| Literature Reference Author | K.BAUMANN,K.HOEGENAUER,G.SCHULZ,A.STECK |
| Literature Reference Citation | MAGN.RES.CHEM.,40,443(2002) |
| Literature Reference DOI | 10.1002/mrc.1044 |
| Molecular Weight | 806.047 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP6892 |