| SpectraBase Compound ID | 2zk3OzbbszG |
|---|---|
| InChI | InChI=1S/C31H44O13/c1-17(6-5-14-31(3,4)39)13-15-40-29-26(38)28(44-30-25(37)24(36)23(35)18(2)41-30)27(21(16-32)42-29)43-22(34)12-9-19-7-10-20(33)11-8-19/h5,7-14,18,21,23-30,32-33,35-39H,6,15-16H2,1-4H3/b12-9+,14-5+,17-13+/t18-,21-,23-,24+,25+,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | IKDNBBFTJMGDQU-ZFXGGIOESA-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 | KyLc51OaNXD |
|---|---|
| Name | LIGUROBUSTOSIDE-I;7-HYDROXY-3,7-DIMETHYL-2E,5E-OCTADIENYL-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-4'-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O13 |
| InChI | InChI=1S/C31H44O13/c1-17(6-5-14-31(3,4)39)13-15-40-29-26(38)28(44-30-25(37)24(36)23(35)18(2)41-30)27(21(16-32)42-29)43-22(34)12-9-19-7-10-20(33)11-8-19/h5,7-14,18,21,23-30,32-33,35-39H,6,15-16H2,1-4H3/b12-9+,14-5+,17-13+/t18-,21-,23-,24+,25+,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | IKDNBBFTJMGDQU-ZFXGGIOESA-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 | UWMS1304 |