| SpectraBase Compound ID | 8I2yZCgfzYP |
|---|---|
| InChI | InChI=1S/C43H68O17/c1-19-10-13-43(37(54)60-35-31(52)29(50)27(48)23(18-45)58-35)15-14-39(3)20(32(43)42(19,6)55)8-9-24-38(2)16-21(46)33(59-34-30(51)28(49)26(47)22(17-44)57-34)41(5,36(53)56-7)25(38)11-12-40(24,39)4/h8,19,21-35,44-52,55H,9-18H2,1-7H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,38-,39-,40-,41+,42-,43+/m1/s1 |
| InChIKey | GXAOVJMBEOQAOX-ZTUZXHBDSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C43H68O17 |
| Exact Mass | 856.445651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NKcQ8MEHFh |
|---|---|
| Name | SUAVISSIMOSIDE-R-1-3-O-GLUCOPYRANOSIDE-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O17 |
| InChI | InChI=1S/C43H68O17/c1-19-10-13-43(37(54)60-35-31(52)29(50)27(48)23(18-45)58-35)15-14-39(3)20(32(43)42(19,6)55)8-9-24-38(2)16-21(46)33(59-34-30(51)28(49)26(47)22(17-44)57-34)41(5,36(53)56-7)25(38)11-12-40(24,39)4/h8,19,21-35,44-52,55H,9-18H2,1-7H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,38-,39-,40-,41+,42-,43+/m1/s1 |
| InChIKey | GXAOVJMBEOQAOX-ZTUZXHBDSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,1748(1987) |
| Literature Reference DOI | 10.1248/cpb.35.1748 |
| Molecular Weight | 857.003 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK102 |