| SpectraBase Compound ID | Cm2UwprI8s9 |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-20-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(42)21(20)2)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h7,20-21,23-36,43-51H,8-19H2,1-6H3/t20-,21+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | SWKYEFPSCPKIGA-QQTQZSMESA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tlNA1WfvCT |
|---|---|
| Name | ILEXOSIDE-XXV;3-O-BETA-D-GLUCOPYRANOSYL-23-HYDROXY-URSOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-20-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(42)21(20)2)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h7,20-21,23-36,43-51H,8-19H2,1-6H3/t20-,21+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | SWKYEFPSCPKIGA-QQTQZSMESA-N |
| Literature Reference Author | I.YANO,C.NISHIIZUMI,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,32,417(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95006-4 |
| Molecular Weight | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4522 |