![TURRILLIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-O-[BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE](/api/spectrum/K5bGkt2BQYC/structure.png?h=300&w=458 "TURRILLIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-O-[BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4I59krveoF8 |
|---|---|
| InChI | InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-/m0/s1 |
| InChIKey | BKESKOXPMZUPRR-XQCVXFRXSA-N |
| Mol Weight | 786.7 g/mol |
| Molecular Formula | C35H46O20 |
| Exact Mass | 786.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5bGkt2BQYC |
|---|---|
| Name | TURRILLIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-O-[BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O20 |
| InChI | InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35-/m0/s1 |
| InChIKey | BKESKOXPMZUPRR-XQCVXFRXSA-N |
| Literature Reference Author | E.P.KOSTADINOVA,K.I.ALIPIEVA,T.KOKUBUN,R.M.TASKOVA,N.V.HANDJ IEVA |
| Literature Reference Citation | PHYTOCHEM.,68,1321(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.02.014 |
| Molecular Weight | 786.738 g/mol |
| Sample ID | 62495 |
| Solvent | CD3OD |