| SpectraBase Compound ID | BovsyE806xE |
|---|---|
| InChI | InChI=1S/C46H56O23/c1-22-35(53)38(56)41(68-45-42(58)46(20-47,21-64-45)69-34(52)12-7-23-6-10-27(49)29(16-23)59-2)44(65-22)67-40-39(57)37(55)32(66-43(40)62-14-13-24-5-9-26(48)28(50)15-24)19-63-33(51)11-8-25-17-30(60-3)36(54)31(18-25)61-4/h5-12,15-18,22,32,35,37-45,47-50,53-58H,13-14,19-21H2,1-4H3/b11-8+,12-7+/t22-,32+,35-,37+,38+,39-,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | SVNIIMYPSPJPRI-YQEPMXCTSA-N |
| Mol Weight | 976.9 g/mol |
| Molecular Formula | C46H56O23 |
| Exact Mass | 976.321238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fU5XAczioZ |
|---|---|
| Name | #9;NEWBOULDIOSIDE-C;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-3-O-E-FERULOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-6-O-SINAPOYL-BETA-D-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H56O23 |
| InChI | InChI=1S/C46H56O23/c1-22-35(53)38(56)41(68-45-42(58)46(20-47,21-64-45)69-34(52)12-7-23-6-10-27(49)29(16-23)59-2)44(65-22)67-40-39(57)37(55)32(66-43(40)62-14-13-24-5-9-26(48)28(50)15-24)19-63-33(51)11-8-25-17-30(60-3)36(54)31(18-25)61-4/h5-12,15-18,22,32,35,37-45,47-50,53-58H,13-14,19-21H2,1-4H3/b11-8+,12-7+/t22-,32+,35-,37+,38+,39-,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | SVNIIMYPSPJPRI-YQEPMXCTSA-N |
| Literature Reference Author | R.GORMANN,M.KALOGA,D.FERREIRA,J.P.J.MARAIS,H.KOLODZIEJ |
| Literature Reference Citation | PHYTOCHEM.,67,805(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.01.016 |
| Molecular Weight | 976.937 g/mol |
| Sample ID | 66179 |
| Solvent | CD3OD |