| SpectraBase Compound ID | GHbSDo5HUOn |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)/t22-,24?,25+,26+,27?,28?,29?,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | GSUHSCPABMCWMK-BFWDRFCQSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lf2h6fiIaSP |
|---|---|
| Name | PHYTOLACCOSIDE-F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59)/t22-,24?,25+,26+,27?,28?,29?,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45-,46+,47+,48-/m0/s1 |
| InChIKey | GSUHSCPABMCWMK-BFWDRFCQSA-N |
| Literature Reference Author | S.S.KANG,W.S.WOO |
| Literature Reference Citation | PLANTA.MED.,53,338(1987) |
| Literature Reference DOI | 10.1055/s-2006-962732 |
| Molecular Weight | 957.120 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK261 |