SpectraBase Compound ID | 12GZetnv62F |
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InChI | InChI=1S/C32H34O15/c1-32(42)11-10-18-19(28(39)40)13-44-30(24(18)32)47-31-27(46-29(41)16-4-6-17(33)7-5-16)26(38)25(37)22(45-31)14-43-23(36)9-3-15-2-8-20(34)21(35)12-15/h2-9,12-13,18,22,24-27,30-31,33-35,37-38,42H,10-11,14H2,1H3,(H,39,40)/b9-3+/t18-,22-,24-,25-,26+,27-,30+,31+,32+/m1/s1 |
InChIKey | LZVBQYSONKTXFG-XYYTZZQVSA-N |
Mol Weight | 658.6 g/mol |
Molecular Formula | C32H34O15 |
Exact Mass | 658.18977 g/mol |
SpectraBase Spectrum ID | 7FVDCqh0Hcb |
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Name | 6'-O-TRANS-CAFFEOYL-NEGUNDOSIDE |
Compound Number | 167 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C32H34O15 |
InChI | InChI=1S/C32H34O15/c1-32(42)11-10-18-19(28(39)40)13-44-30(24(18)32)47-31-27(46-29(41)16-4-6-17(33)7-5-16)26(38)25(37)22(45-31)14-43-23(36)9-3-15-2-8-20(34)21(35)12-15/h2-9,12-13,18,22,24-27,30-31,33-35,37-38,42H,10-11,14H2,1H3,(H,39,40)/b9-3+/t18-,22-,24-,25-,26+,27-,30+,31+,32+/m1/s1 |
InChIKey | LZVBQYSONKTXFG-XYYTZZQVSA-N |
Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
Literature Reference DOI | 10.1248/cpb.55.159 |
Molecular Weight | 658.613 g/mol |
Sample ID | 37963 |
Solvent | CD3OD |