SpectraBase Compound ID | 2zq7eiUnnOs |
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InChI | InChI=1S/C28H38O14/c1-36-16-8-14(6-5-7-29)9-17(37-2)26(16)40-20(12-30)22(32)15-10-18(38-3)27(19(11-15)39-4)42-28-25(35)24(34)23(33)21(13-31)41-28/h5-6,8-11,20-25,28-35H,7,12-13H2,1-4H3/b6-5+/t20-,21+,22-,23+,24-,25+,28-/m1/s1 |
InChIKey | UAWIBXORCBDCBZ-JRKHIOOQSA-N |
Mol Weight | 598.6 g/mol |
Molecular Formula | C28H38O14 |
Exact Mass | 598.226156 g/mol |
SpectraBase Spectrum ID | AWClmWiwKNi |
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Name | PICRAQUASSIOSIDE-C |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C28H38O14 |
InChI | InChI=1S/C28H38O14/c1-36-16-8-14(6-5-7-29)9-17(37-2)26(16)40-20(12-30)22(32)15-10-18(38-3)27(19(11-15)39-4)42-28-25(35)24(34)23(33)21(13-31)41-28/h5-6,8-11,20-25,28-35H,7,12-13H2,1-4H3/b6-5+/t20-,21+,22-,23+,24-,25+,28-/m1/s1 |
InChIKey | UAWIBXORCBDCBZ-JRKHIOOQSA-N |
Literature Reference Author | Y.QIN,C.YIN,Z.CHENG |
Literature Reference Citation | MOLECULES,18,13636(2013) |
Literature Reference DOI | 10.3390/molecules181113636 |
Molecular Weight | 598.601 g/mol |
Solvent | CD3OD |
Source File Reference | UWIR9875 |