| SpectraBase Compound ID | HREFzgeYT2J |
|---|---|
| InChI | InChI=1S/C31H44O13/c1-16(2)21(33)11-5-17(3)13-14-40-30-28(39)29(44-31-27(38)26(37)24(35)18(4)42-31)25(36)22(43-30)15-41-23(34)12-8-19-6-9-20(32)10-7-19/h6-10,12-13,18,21-22,24-33,35-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,21?,22-,24-,25-,26+,27+,28-,29+,30-,31-/m0/s1 |
| InChIKey | TXVNEQGMQGFLPH-NTILIUBNSA-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 | sfLLNBVjeS |
|---|---|
| Name | LIGUROBUSTOSIDE-F;6-HYDROXY-3,7-DIMETHYL-2E,7-OCTADIENYL-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-6'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 5 |
| 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)21(33)11-5-17(3)13-14-40-30-28(39)29(44-31-27(38)26(37)24(35)18(4)42-31)25(36)22(43-30)15-41-23(34)12-8-19-6-9-20(32)10-7-19/h6-10,12-13,18,21-22,24-33,35-39H,1,5,11,14-15H2,2-4H3/b12-8+,17-13+/t18-,21?,22-,24-,25-,26+,27+,28-,29+,30-,31-/m0/s1 |
| InChIKey | TXVNEQGMQGFLPH-NTILIUBNSA-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 | UWMS1303 |