| SpectraBase Compound ID | FSF6hwgu9im |
|---|---|
| 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-ABLMITLPSA-N |
| Mol Weight | 658.6 g/mol |
| Molecular Formula | C32H34O15 |
| Exact Mass | 658.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC6qVwFwZjx |
|---|---|
| Name | 6'-O-TRANS-CAFFEOYLNEGUNDOSIDE |
| Compound Number | 2 |
| 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-ABLMITLPSA-N |
| Literature Reference Author | C.SRIDHAR,G.V.SUBBARAJU,Y.VENKATESWARLU,R.T.VENUGOPAL |
| Literature Reference Citation | J.NAT.PROD.,67,2012(2004) |
| Literature Reference DOI | 10.1021/np040117r |
| Molecular Weight | 658.613 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ6825 |