| SpectraBase Compound ID | 7CeuCI3bNVB |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26?,27?,28+,29-,30-,31+,32+,33-,34-,35-,36+,37?,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1 |
| InChIKey | RJERVICEUNVSDW-XYXWIYQXSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jDlk5hNmaD |
|---|---|
| Name | RANDIASAPONIN-III;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL-POMOLIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-21-10-15-47(41(58)65-40-34(56)32(54)30(52)25(19-49)62-40)17-16-44(5)22(37(47)46(21,7)59)8-9-27-43(4)13-12-28(42(2,3)26(43)11-14-45(27,44)6)63-38-35(57)36(23(50)20-60-38)64-39-33(55)31(53)29(51)24(18-48)61-39/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26?,27?,28+,29-,30-,31+,32+,33-,34-,35-,36+,37?,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1 |
| InChIKey | RJERVICEUNVSDW-XYXWIYQXSA-N |
| Literature Reference Author | S.SAHPAZ,M.P.GUPTA,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,54,77(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00034-0 |
| Molecular Weight | 929.110 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1223 |