| SpectraBase Compound ID | BPKhOG7HzfY |
|---|---|
| InChI | InChI=1S/C40H62O14/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-47-39-34(46)37(35(50-29(8)42)32(53-39)22-48-28(7)41)54-40-38(52-31(10)44)36(51-30(9)43)33(45)27(6)49-40/h14,16,18,20,27,32-40,45-46H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,32+,33-,34+,35+,36+,37+,38-,39+,40+/m1/s1 |
| InChIKey | XKNKITHFLRUKKY-QHBSWUKESA-N |
| Mol Weight | 766.9 g/mol |
| Molecular Formula | C40H62O14 |
| Exact Mass | 766.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGFiuOK9Tiv |
|---|---|
| Name | XKNKITHFLRUKKY-QHBSWUKESA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O14 |
| InChI | InChI=1S/C40H62O14/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-47-39-34(46)37(35(50-29(8)42)32(53-39)22-48-28(7)41)54-40-38(52-31(10)44)36(51-30(9)43)33(45)27(6)49-40/h14,16,18,20,27,32-40,45-46H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,32+,33-,34+,35+,36+,37+,38-,39+,40+/m1/s1 |
| InChIKey | XKNKITHFLRUKKY-QHBSWUKESA-N |
| Literature Reference Author | S.B.T.CAVALCANTI,H.L.TELES,D.H.S.SILVA,M.FURLAN,M.C.M.YOUNG, V.S.BOLZANI |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,12,413(2001) |
| Literature Reference DOI | 10.1590/s0103-50532001000300014 |
| Molecular Weight | 766.924 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA1369 |