| SpectraBase Compound ID | BZui2D4IoXt |
|---|---|
| InChI | InChI=1S/C49H78O19/c1-23(52)64-27-20-63-41(37(58)34(27)55)67-31-11-12-45(4)29(46(31,5)22-51)10-13-48(7)30(45)9-8-24-25-18-44(2,3)14-16-49(25,17-15-47(24,48)6)43(61)68-42-39(60)36(57)33(54)28(66-42)21-62-40-38(59)35(56)32(53)26(19-50)65-40/h8,25-42,50-51,53-60H,9-22H2,1-7H3/t25-,26+,27-,28+,29?,30?,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | PTXSSSQCWMXORJ-LNUBWWOSSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C49H78O19 |
| Exact Mass | 970.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjebdvTtug9 |
|---|---|
| Name | 4'-O-ACETYL_AKEBIA_SAPONIN_D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O19 |
| InChI | InChI=1S/C49H78O19/c1-23(52)64-27-20-63-41(37(58)34(27)55)67-31-11-12-45(4)29(46(31,5)22-51)10-13-48(7)30(45)9-8-24-25-18-44(2,3)14-16-49(25,17-15-47(24,48)6)43(61)68-42-39(60)36(57)33(54)28(66-42)21-62-40-38(59)35(56)32(53)26(19-50)65-40/h8,25-42,50-51,53-60H,9-22H2,1-7H3/t25-,26+,27-,28+,29?,30?,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | PTXSSSQCWMXORJ-LNUBWWOSSA-N |
| Literature Reference Author | I.KOUNO,A.TSUBOI,M.NANRI,N.KAWANO |
| Literature Reference Citation | PHYTOCHEM.,29,338(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89068-K |
| Molecular Weight | 971.147 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25402 |