| SpectraBase Compound ID | 1tXwF89Gg9X |
|---|---|
| InChI | InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | ALERZNQPBWWLMW-OMRKUVHCSA-N |
| Mol Weight | 666.6 g/mol |
| Molecular Formula | C31H38O16 |
| Exact Mass | 666.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpZ5sTmbCRv |
|---|---|
| Name | 2'-ACETYLACTEOSIDE;FRACTION-IV |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O16 |
| InChI | InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1 |
| InChIKey | ALERZNQPBWWLMW-OMRKUVHCSA-N |
| Literature Reference Author | L.HAN,L.JI,M.BOAKYE-YIADOM,W.LI,X.SONG,X.GAO |
| Literature Reference Citation | MOLECULES,17,8276(2012) |
| Literature Reference DOI | 10.3390/molecules17078276 |
| Molecular Weight | 666.633 g/mol |
| Sample ID | 1066 |
| Solvent | CD3OD |