| SpectraBase Compound ID | 2UWosMDw9xK |
|---|---|
| InChI | InChI=1S/C43H68O18/c1-20-8-11-42(36(54)61-34-30(52)27(49)23(48)18-58-34)13-12-39(3)21(32(42)41(20,5)56)6-7-25-38(2)16-22(47)33(60-35-31(53)29(51)28(50)24(17-45)59-35)43(19-46,37(55)57-15-14-44)26(38)9-10-40(25,39)4/h6,20,22-35,44-53,56H,7-19H2,1-5H3/t20-,22-,23?,24-,25?,26?,27?,28-,29+,30?,31-,32?,33+,34?,35+,38-,39-,40-,41-,42+,43+/m1/s1 |
| InChIKey | PBWHDKBWUQBGCO-AMJCIXJHSA-N |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C43H68O18 |
| Exact Mass | 872.440565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bjKpRfSPYa |
|---|---|
| Name | TRACHELOSPEROSIDE-C-2-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O18 |
| InChI | InChI=1S/C43H68O18/c1-20-8-11-42(36(54)61-34-30(52)27(49)23(48)18-58-34)13-12-39(3)21(32(42)41(20,5)56)6-7-25-38(2)16-22(47)33(60-35-31(53)29(51)28(50)24(17-45)59-35)43(19-46,37(55)57-15-14-44)26(38)9-10-40(25,39)4/h6,20,22-35,44-53,56H,7-19H2,1-5H3/t20-,22-,23?,24-,25?,26?,27?,28-,29+,30?,31-,32?,33+,34?,35+,38-,39-,40-,41-,42+,43+/m1/s1 |
| InChIKey | PBWHDKBWUQBGCO-AMJCIXJHSA-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 | 873.002 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK107 |