| SpectraBase Compound ID | 1HU6dWEjnVi |
|---|---|
| InChI | InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1 |
| InChIKey | IBAJNOZMACNWJD-HVUPOBLPSA-N |
| Mol Weight | 735.0 g/mol |
| Molecular Formula | C41H66O11 |
| Exact Mass | 734.460513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ozBB6VLfG5 |
|---|---|
| Name | SAPONIN_CP_2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O11 |
| InChI | InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1 |
| InChIKey | IBAJNOZMACNWJD-HVUPOBLPSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,Y.Q.LIU,R.KASAI,K.OHTANI,K.YAMASAKI,K.MIYAHA RA,K.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,39,1175(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00107-I |
| Molecular Weight | 734.968 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9044 |