![LIGUROBUSTOSIDE-J;GERANIOL-[3''-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-4'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/l1kDu6BjPE/structure.png?h=300&w=458 "LIGUROBUSTOSIDE-J;GERANIOL-[3''-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-4'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | BV56wkQwAGE |
|---|---|
| InChI | InChI=1S/C37H54O16/c1-18(2)7-6-8-19(3)15-16-47-35-31(46)34(33(24(17-38)50-35)51-25(40)14-11-22-9-12-23(39)13-10-22)53-37-30(45)28(43)32(21(5)49-37)52-36-29(44)27(42)26(41)20(4)48-36/h7,9-15,20-21,24,26-39,41-46H,6,8,16-17H2,1-5H3/b14-11+,19-15+/t20-,21+,24+,26-,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37+/m1/s1 |
| InChIKey | WXMRZJXXQKPFTD-IRCSLNCTSA-N |
| Mol Weight | 754.8 g/mol |
| Molecular Formula | C37H54O16 |
| Exact Mass | 754.341186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | l1kDu6BjPE |
|---|---|
| Name | LIGUROBUSTOSIDE-J;GERANIOL-[3''-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-4'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O16 |
| InChI | InChI=1S/C37H54O16/c1-18(2)7-6-8-19(3)15-16-47-35-31(46)34(33(24(17-38)50-35)51-25(40)14-11-22-9-12-23(39)13-10-22)53-37-30(45)28(43)32(21(5)49-37)52-36-29(44)27(42)26(41)20(4)48-36/h7,9-15,20-21,24,26-39,41-46H,6,8,16-17H2,1-5H3/b14-11+,19-15+/t20-,21+,24+,26-,27+,28+,29+,30-,31+,32+,33+,34+,35+,36-,37+/m1/s1 |
| InChIKey | WXMRZJXXQKPFTD-IRCSLNCTSA-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 | 754.826 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1305 |