| SpectraBase Compound ID | GuyPlkVTgld |
|---|---|
| InChI | InChI=1S/2C37H50O21/c2*1-3-51-24(17-6-8-19(41)21(43)11-17)14-52-35-31(50)34(33(23(13-39)55-35)56-25(44)9-5-16-4-7-18(40)20(42)10-16)58-36-30(49)28(47)32(15(2)53-36)57-37-29(48)27(46)26(45)22(12-38)54-37/h2*4-11,15,22-24,26-43,45-50H,3,12-14H2,1-2H3/b2*9-5+/t15-,22-,23+,24?,26-,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,37+;15-,22-,23-,24?,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36-,37+/m00/s1 |
| InChIKey | CQGYPSQZDPOHMN-MXBXGRDWSA-N |
| Mol Weight | 1661.6 g/mol |
| Molecular Formula | C74H100O42 |
| Exact Mass | 1660.568917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtTryWBLm9y |
|---|---|
| Name | #3;ROSSICASIDE-F;2-(3,4-DIHYDROXYPHENYL)-R,S-2-ETHOXY-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-(4-O-TRANS-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H100O42 |
| InChI | InChI=1S/2C37H50O21/c2*1-3-51-24(17-6-8-19(41)21(43)11-17)14-52-35-31(50)34(33(23(13-39)55-35)56-25(44)9-5-16-4-7-18(40)20(42)10-16)58-36-30(49)28(47)32(15(2)53-36)57-37-29(48)27(46)26(45)22(12-38)54-37/h2*4-11,15,22-24,26-43,45-50H,3,12-14H2,1-2H3/b2*9-5+/t15-,22-,23+,24?,26-,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,37+;15-,22-,23-,24?,26-,27+,28+,29-,30+,31-,32-,33-,34-,35-,36-,37+/m00/s1 |
| InChIKey | CQGYPSQZDPOHMN-MXBXGRDWSA-N |
| Literature Reference Author | M.H.SHYR,T.H.TSAI,L.C.LIN |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,252(2006) |
| Literature Reference DOI | 10.1248/cpb.54.252 |
| Molecular Weight | 1661.583 g/mol |
| Sample ID | 37116 |
| Solvent | CD3OD |