| SpectraBase Compound ID | 3YGOnKhyrSi |
|---|---|
| InChI | InChI=1S/C31H46O14/c1-16(5-11-21(34)31(3,4)40)13-14-41-29-26(39)28(45-30-25(38)24(37)23(36)17(2)42-30)27(20(15-32)43-29)44-22(35)12-8-18-6-9-19(33)10-7-18/h6-10,12-13,17,20-21,23-30,32-34,36-40H,5,11,14-15H2,1-4H3/b12-8+,16-13+/t17-,20-,21?,23-,24+,25+,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | XDVUZZAJCZJSIP-WAUBSHOPSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C31H46O14 |
| Exact Mass | 642.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bExAPONn8Y |
|---|---|
| Name | LIGUROBUSTOSIDE-K;6,7-DIHYDROXY-3,7-DIMETHYL-2E-OCTAENYL-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-4'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O14 |
| InChI | InChI=1S/C31H46O14/c1-16(5-11-21(34)31(3,4)40)13-14-41-29-26(39)28(45-30-25(38)24(37)23(36)17(2)42-30)27(20(15-32)43-29)44-22(35)12-8-18-6-9-19(33)10-7-18/h6-10,12-13,17,20-21,23-30,32-34,36-40H,5,11,14-15H2,1-4H3/b12-8+,16-13+/t17-,20-,21?,23-,24+,25+,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | XDVUZZAJCZJSIP-WAUBSHOPSA-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 | 642.698 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1306 |