| SpectraBase Compound ID | I95CWhmmiCw |
|---|---|
| InChI | InChI=1S/C31H44O13/c1-16(2)6-5-7-17(3)12-13-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)11-9-19-8-10-20(33)21(34)14-19/h6,8-12,14,18,22,24-34,36-39H,5,7,13,15H2,1-4H3/b11-9+,17-12+/t18-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | TYRGLPMBSNUUEL-LVCLRKOMSA-N |
| Mol Weight | 624.7 g/mol |
| Molecular Formula | C31H44O13 |
| Exact Mass | 624.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91K0alD5Yg2 |
|---|---|
| Name | LIGUROBUSTOSIDE-B;GERANIOL-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-4'-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O13 |
| InChI | InChI=1S/C31H44O13/c1-16(2)6-5-7-17(3)12-13-40-30-27(39)29(44-31-26(38)25(37)24(36)18(4)41-31)28(22(15-32)42-30)43-23(35)11-9-19-8-10-20(33)21(34)14-19/h6,8-12,14,18,22,24-34,36-39H,5,7,13,15H2,1-4H3/b11-9+,17-12+/t18-,22-,24-,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | TYRGLPMBSNUUEL-LVCLRKOMSA-N |
| Literature Reference Author | J.TIAN,H.J.ZHANG,H.D.SUN,L.T.PAN,P.YAO,D.Y.CHEN |
| Literature Reference Citation | PHYTOCHEM.,48,1013(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00472-X |
| Molecular Weight | 624.683 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1300 |