| SpectraBase Compound ID | 8jC2JzVGtzN |
|---|---|
| InChI | InChI=1S/C31H44O12/c1-17(2)6-5-7-18(3)14-15-39-30-28(38)29(43-31-27(37)26(36)24(34)19(4)41-31)25(35)22(42-30)16-40-23(33)13-10-20-8-11-21(32)12-9-20/h6,8-14,19,22,24-32,34-38H,5,7,15-16H2,1-4H3/b13-10+,18-14+/t19-,22-,24-,25-,26+,27+,28-,29+,30-,31-/m0/s1 |
| InChIKey | KCYQWZYCPAUUAA-PYOKIEETSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C31H44O12 |
| Exact Mass | 608.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcrZYb4nAZQ |
|---|---|
| Name | LIGUROBUSTOSIDE-E;GERANIOL-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-6'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O12 |
| InChI | InChI=1S/C31H44O12/c1-17(2)6-5-7-18(3)14-15-39-30-28(38)29(43-31-27(37)26(36)24(34)19(4)41-31)25(35)22(42-30)16-40-23(33)13-10-20-8-11-21(32)12-9-20/h6,8-14,19,22,24-32,34-38H,5,7,15-16H2,1-4H3/b13-10+,18-14+/t19-,22-,24-,25-,26+,27+,28-,29+,30-,31-/m0/s1 |
| InChIKey | KCYQWZYCPAUUAA-PYOKIEETSA-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 | 608.683 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1302 |