| SpectraBase Compound ID | JWu5SdHyF0M |
|---|---|
| InChI | InChI=1S/C43H68O18/c1-38(2)11-13-42(36(55)61-35-31(53)29(51)27(49)22(17-45)59-35)14-12-40(4)19(25(42)32(38)54)7-8-23-39(3)15-20(47)33(60-34-30(52)28(50)26(48)21(16-44)58-34)43(18-46,37(56)57-6)24(39)9-10-41(23,40)5/h7,20-35,44-54H,8-18H2,1-6H3/t20-,21-,22-,23?,24?,25?,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,39-,40-,41-,42+,43+/m1/s1 |
| InChIKey | NJCLOBAJTXIAQG-KWRQCHNHSA-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 | 2sQe5V3Jcdf |
|---|---|
| Name | TRACHELOSPEROSIDE-D-2-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O18 |
| InChI | InChI=1S/C43H68O18/c1-38(2)11-13-42(36(55)61-35-31(53)29(51)27(49)22(17-45)59-35)14-12-40(4)19(25(42)32(38)54)7-8-23-39(3)15-20(47)33(60-34-30(52)28(50)26(48)21(16-44)58-34)43(18-46,37(56)57-6)24(39)9-10-41(23,40)5/h7,20-35,44-54H,8-18H2,1-6H3/t20-,21-,22-,23?,24?,25?,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,39-,40-,41-,42+,43+/m1/s1 |
| InChIKey | NJCLOBAJTXIAQG-KWRQCHNHSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,1833(1987) |
| Literature Reference DOI | 10.1248/cpb.35.1833 |
| Molecular Weight | 873.002 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK90 |