![#2;TURRILLIOSIDE-B;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-[6-O-(E)-FERULOYL-BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOS](/api/spectrum/GNS37RDNCwP/structure.png?h=300&w=458 "#2;TURRILLIOSIDE-B;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-[6-O-(E)-FERULOYL-BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOS")
| SpectraBase Compound ID | FryiNpxueCy |
|---|---|
| InChI | InChI=1S/C45H54O23/c1-20-41(68-45-38(57)35(54)34(53)30(65-45)18-62-32(51)11-6-22-5-10-26(48)29(17-22)60-2)36(55)39(58)44(64-20)63-19-31-42(67-33(52)12-7-21-3-8-24(46)27(49)15-21)37(56)40(59)43(66-31)61-14-13-23-4-9-25(47)28(50)16-23/h3-12,15-17,20,30-31,34-50,53-59H,13-14,18-19H2,1-2H3/b11-6+,12-7+/t20-,30+,31-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45-/m0/s1 |
| InChIKey | KVZKMHXQBWVUCH-YCRHSOSMSA-N |
| Mol Weight | 962.9 g/mol |
| Molecular Formula | C45H54O23 |
| Exact Mass | 962.305588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNS37RDNCwP |
|---|---|
| Name | #2;TURRILLIOSIDE-B;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-[6-O-(E)-FERULOYL-BETA-GLUCOPYRANOSYL-(1->4)-ALPHA-RHAMNOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H54O23 |
| InChI | InChI=1S/C45H54O23/c1-20-41(68-45-38(57)35(54)34(53)30(65-45)18-62-32(51)11-6-22-5-10-26(48)29(17-22)60-2)36(55)39(58)44(64-20)63-19-31-42(67-33(52)12-7-21-3-8-24(46)27(49)15-21)37(56)40(59)43(66-31)61-14-13-23-4-9-25(47)28(50)16-23/h3-12,15-17,20,30-31,34-50,53-59H,13-14,18-19H2,1-2H3/b11-6+,12-7+/t20-,30+,31-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45-/m0/s1 |
| InChIKey | KVZKMHXQBWVUCH-YCRHSOSMSA-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 | 962.910 g/mol |
| Sample ID | 62496 |
| Solvent | CD3OD |