| SpectraBase Compound ID | KxDZ0L5Iu8Z |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-41(2)14-15-46(40(56)57)22(16-41)21-8-9-27-43(5)12-11-29(42(3,4)26(43)10-13-44(27,6)45(21,7)17-28(46)49)62-38-35(55)33(53)32(52)25(61-38)20-60-39-36(31(51)24(48)19-59-39)63-37-34(54)30(50)23(47)18-58-37/h8,22-39,47-55H,9-20H2,1-7H3,(H,56,57)/t22?,23-,24-,25+,26?,27?,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,43-,44+,45+,46+/m0/s1 |
| InChIKey | WGFGSGMOAHUFDZ-RVPJXZBVSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7xgQjEDF6G |
|---|---|
| Name | PITHEDULOSIDE-D;ECHINOCYSTIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-41(2)14-15-46(40(56)57)22(16-41)21-8-9-27-43(5)12-11-29(42(3,4)26(43)10-13-44(27,6)45(21,7)17-28(46)49)62-38-35(55)33(53)32(52)25(61-38)20-60-39-36(31(51)24(48)19-59-39)63-37-34(54)30(50)23(47)18-58-37/h8,22-39,47-55H,9-20H2,1-7H3,(H,56,57)/t22?,23-,24-,25+,26?,27?,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,43-,44+,45+,46+/m0/s1 |
| InChIKey | WGFGSGMOAHUFDZ-RVPJXZBVSA-N |
| Literature Reference Author | S.K.NIGAM,M.GOPAL,R.UDDIN,K.YOSHIKAWA,M.KAWAMOTO,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,44,1329(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00725-X |
| Molecular Weight | 899.083 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWAN8 |