![LIGUROBUSTOSIDE-N;[2-(4-HYDROXYPHENYLETHYL)]-[3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-(4-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/FouQfPHOdVR/structure.png?h=300&w=458 "LIGUROBUSTOSIDE-N;[2-(4-HYDROXYPHENYLETHYL)]-[3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-(4-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4yOevp6HTCq |
|---|---|
| InChI | InChI=1S/C35H46O18/c1-15-24(41)25(42)27(44)34(48-15)52-30-16(2)49-35(28(45)26(30)43)53-32-29(46)33(47-12-11-17-3-7-19(37)8-4-17)50-22(14-36)31(32)51-23(40)10-6-18-5-9-20(38)21(39)13-18/h3-10,13,15-16,22,24-39,41-46H,11-12,14H2,1-2H3/b10-6+/t15-,16+,22+,24-,25+,26+,27+,28-,29+,30+,31+,32+,33+,34-,35+/m1/s1 |
| InChIKey | SQXKPAMOLXJEEU-MKSPTMBUSA-N |
| Mol Weight | 754.7 g/mol |
| Molecular Formula | C35H46O18 |
| Exact Mass | 754.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FouQfPHOdVR |
|---|---|
| Name | LIGUROBUSTOSIDE-N;[2-(4-HYDROXYPHENYLETHYL)]-[3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-(4-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O18 |
| InChI | InChI=1S/C35H46O18/c1-15-24(41)25(42)27(44)34(48-15)52-30-16(2)49-35(28(45)26(30)43)53-32-29(46)33(47-12-11-17-3-7-19(37)8-4-17)50-22(14-36)31(32)51-23(40)10-6-18-5-9-20(38)21(39)13-18/h3-10,13,15-16,22,24-39,41-46H,11-12,14H2,1-2H3/b10-6+/t15-,16+,22+,24-,25+,26+,27+,28-,29+,30+,31+,32+,33+,34-,35+/m1/s1 |
| InChIKey | SQXKPAMOLXJEEU-MKSPTMBUSA-N |
| Literature Reference Author | Z.D.HE,K.M.LAU,P.P.H.BUT,R.W.JIANG,H.DONG,S.C.MA,K.P.FUNG,W. C.YE,H.D.SUN |
| Literature Reference Citation | J.NAT.PROD.,66,851(2003) |
| Literature Reference DOI | 10.1021/np020568g |
| Molecular Weight | 754.739 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7921 |