| SpectraBase Compound ID | 6FGVb5lQXlS |
|---|---|
| InChI | InChI=1S/C38H42O19/c1-17(39)48-16-28-30(51-19(3)41)31(52-20(4)42)32(53-21(5)43)37(55-28)56-36-29-25(27(15-49-36)34(45)47-7)12-13-38(29)33(54-22(6)44)26(35(46)57-38)14-23-8-10-24(11-9-23)50-18(2)40/h8-13,15,25-26,28-33,36-37H,14,16H2,1-7H3/t25-,26+,28+,29-,30+,31-,32+,33+,36+,37-,38+/m1/s1 |
| InChIKey | MKCZZGUHPHEDEQ-HTRAJMCLSA-N |
| Mol Weight | 802.7 g/mol |
| Molecular Formula | C38H42O19 |
| Exact Mass | 802.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dLiw14ozQn |
|---|---|
| Name | DUNNISINOSIDE-PER-ACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H42O19 |
| InChI | InChI=1S/C38H42O19/c1-17(39)48-16-28-30(51-19(3)41)31(52-20(4)42)32(53-21(5)43)37(55-28)56-36-29-25(27(15-49-36)34(45)47-7)12-13-38(29)33(54-22(6)44)26(35(46)57-38)14-23-8-10-24(11-9-23)50-18(2)40/h8-13,15,25-26,28-33,36-37H,14,16H2,1-7H3/t25-,26+,28+,29-,30+,31-,32+,33+,36+,37-,38+/m1/s1 |
| InChIKey | MKCZZGUHPHEDEQ-HTRAJMCLSA-N |
| Literature Reference Author | X.WEI,H.XIE,X.GE,F.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,53,837(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00581-6 |
| Molecular Weight | 802.740 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2178 |